6-(2-cyclododecyl-1,3-thiazol-5-yl)-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

C27H33F3N4S — CID 126703044

IUPAC6-(2-cyclododecyl-1,3-thiazol-5-yl)-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc(C3CCCCCCCCCCC3)s2)c1
InChIInChI=1S/C27H33F3N4S/c1-19-15-22(33-25(16-19)34-24-17-21(13-14-31-24)27(28,29)30)23-18-32-26(35-23)20-11-9-7-5-3-2-4-6-8-10-12-20/h13-18,20H,2-12H2,1H3,(H,31,33,34)
InChIKeyXULARKAZYLYGGT-UHFFFAOYSA-N
MW502.65 g/mol
LogP9.06
Rot. Bonds4

About 6-(2-cyclododecyl-1,3-thiazol-5-yl)-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

6-(2-cyclododecyl-1,3-thiazol-5-yl)-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (PubChem CID 126703044) has the molecular formula C27H33F3N4S and a molecular weight of 502.65 g/mol. Its IUPAC name is 6-(2-cyclododecyl-1,3-thiazol-5-yl)-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name6-(2-cyclododecyl-1,3-thiazol-5-yl)-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
PubChem CID126703044
Molecular FormulaC27H33F3N4S
Molecular Weight502.65 g/mol
Exact Mass502.24
IUPAC Name6-(2-cyclododecyl-1,3-thiazol-5-yl)-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc(C3CCCCCCCCCCC3)s2)c1
InChIInChI=1S/C27H33F3N4S/c1-19-15-22(33-25(16-19)34-24-17-21(13-14-31-24)27(28,29)30)23-18-32-26(35-23)20-11-9-7-5-3-2-4-6-8-10-12-20/h13-18,20H,2-12H2,1H3,(H,31,33,34)
InChIKeyXULARKAZYLYGGT-UHFFFAOYSA-N
XLogP9.06
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.65
LogP ≤ 59.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2-cyclododecyl-1,3-thiazol-5-yl)-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

ethyl 5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]cyclooctane-1-carboxylate
CID 138612862
(4S)-5,5-dimethyl-1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2-oxabicyclo[2.2.2]octan-3-one
CID 118558080
(1R,5R)-3-hydroxy-3-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]bicyclo[3.2.1]octane-8-carboxylic acid
CID 118557910
4-methyl-6-(2H-triazol-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 118271576
4-[1-amino-1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]propyl]-3-methylbenzoic acid
CID 71002337
(5R)-5-hydroxy-2-methyl-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-1-carboxylic acid
CID 89485902
5-hydroxy-2-methyl-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-1-carboxylic acid
CID 89485749
(5R)-1-fluoro-5-hydroxy-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid
CID 75201502
[1-[5-[4-cyclopropyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-1-hydroxyethyl] cyclohexanecarboxylate
CID 123444678
4-methyl-6-pyridin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 149220337
[2,3-dihydro-1H-inden-5-yl-hydroxy-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]methyl] formate
CID 174705090
(5S)-5-hydroxy-5-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-1,3-thiazol-2-yl]-6,7,8,9-tetrahydrobenzo[7]annulene-2-carboxylic acid
CID 86766732

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclododecyl-1,3-thiazol-5-yl)-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 6-(2-cyclododecyl-1,3-thiazol-5-yl)-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (CID 126703044) is 6-(2-cyclododecyl-1,3-thiazol-5-yl)-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 6-(2-cyclododecyl-1,3-thiazol-5-yl)-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 6-(2-cyclododecyl-1,3-thiazol-5-yl)-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc(C3CCCCCCCCCCC3)s2)c1.
What is the InChIKey of 6-(2-cyclododecyl-1,3-thiazol-5-yl)-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is XULARKAZYLYGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F3N4S/c1-19-15-22(33-25(16-19)34-24-17-21(13-14-31-24)27(28,29)30)23-18-32-26(35-23)20-11-9-7-5-3-2-4-6-8-10-12-20/h13-18,20H,2-12H2,1H3,(H,31,33,34).
What are the key properties of 6-(2-cyclododecyl-1,3-thiazol-5-yl)-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
6-(2-cyclododecyl-1,3-thiazol-5-yl)-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 502.65 g/mol, XLogP of 9.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclododecyl-1,3-thiazol-5-yl)-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 126703044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).