4-methyl-2-[4-(3-phenylpropyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

C22H22N6OS — CID 24958965

IUPAC4-methyl-2-[4-(3-phenylpropyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cc(CCCc3ccccc3)nn2)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C22H22N6OS/c1-16-20(21(29)24-14-18-10-6-12-23-13-18)30-22(25-16)28-15-19(26-27-28)11-5-9-17-7-3-2-4-8-17/h2-4,6-8,10,12-13,15H,5,9,11,14H2,1H3,(H,24,29)
InChIKeyMFSMZVIVJIOLFG-UHFFFAOYSA-N
MW418.53 g/mol
LogP3.53
Rot. Bonds8

About 4-methyl-2-[4-(3-phenylpropyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

4-methyl-2-[4-(3-phenylpropyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 24958965) has the molecular formula C22H22N6OS and a molecular weight of 418.53 g/mol. Its IUPAC name is 4-methyl-2-[4-(3-phenylpropyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[4-(3-phenylpropyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID24958965
Molecular FormulaC22H22N6OS
Molecular Weight418.53 g/mol
Exact Mass418.16
IUPAC Name4-methyl-2-[4-(3-phenylpropyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cc(CCCc3ccccc3)nn2)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C22H22N6OS/c1-16-20(21(29)24-14-18-10-6-12-23-13-18)30-22(25-16)28-15-19(26-27-28)11-5-9-17-7-3-2-4-8-17/h2-4,6-8,10,12-13,15H,5,9,11,14H2,1H3,(H,24,29)
InChIKeyMFSMZVIVJIOLFG-UHFFFAOYSA-N
XLogP3.53
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[acetyl(benzyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 51048692
4-methyl-N-(3-phenylpropyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 20889831
2-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24512542
2-[3-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24801840
N-benzyl-4-methyl-2-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]-1,3-thiazole-5-carboxamide
CID 24984128
2-(1-ethylpyrazol-3-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 123928883
1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-(3-phenylpropyl)imidazolidin-2-one
CID 58031631
2-[2-(cyclopropylmethylamino)ethylamino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 89233057
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-3H-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 145494862
2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 53200013
2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 42534185
1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055074

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(3-phenylpropyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-[4-(3-phenylpropyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 24958965) is 4-methyl-2-[4-(3-phenylpropyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[4-(3-phenylpropyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-[4-(3-phenylpropyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(-n2cc(CCCc3ccccc3)nn2)sc1C(=O)NCc1cccnc1.
What is the InChIKey of 4-methyl-2-[4-(3-phenylpropyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is MFSMZVIVJIOLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6OS/c1-16-20(21(29)24-14-18-10-6-12-23-13-18)30-22(25-16)28-15-19(26-27-28)11-5-9-17-7-3-2-4-8-17/h2-4,6-8,10,12-13,15H,5,9,11,14H2,1H3,(H,24,29).
What are the key properties of 4-methyl-2-[4-(3-phenylpropyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
4-methyl-2-[4-(3-phenylpropyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 418.53 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(3-phenylpropyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24958965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).