N-(6-methyl-2-pyridinyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine

C18H19N3S — CID 4607845

IUPACN-(6-methyl-2-pyridinyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(C(C)C)cc3)cs2)n1
InChIInChI=1S/C18H19N3S/c1-12(2)14-7-9-15(10-8-14)16-11-22-18(20-16)21-17-6-4-5-13(3)19-17/h4-12H,1-3H3,(H,19,20,21)
InChIKeyGBTWSRPVRYOUKL-UHFFFAOYSA-N
MW309.44 g/mol
LogP5.38
Rot. Bonds4

About N-(6-methyl-2-pyridinyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine

N-(6-methyl-2-pyridinyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine (PubChem CID 4607845) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
PubChem CID4607845
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC NameN-(6-methyl-2-pyridinyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(C(C)C)cc3)cs2)n1
InChIInChI=1S/C18H19N3S/c1-12(2)14-7-9-15(10-8-14)16-11-22-18(20-16)21-17-6-4-5-13(3)19-17/h4-12H,1-3H3,(H,19,20,21)
InChIKeyGBTWSRPVRYOUKL-UHFFFAOYSA-N
XLogP5.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.44
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-2-pyridinyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-2-amine
CID 89423164
4-[4-(2-fluoro-5-methyl-4-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 89423177
N-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 55027194
N-(3-chloro-4-methylphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 23804659
N-(2-methylpropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 60642186
4-[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 89427087
1-[4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564238
1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
CID 3495731
N-(2-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 23775568
N-(4-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 23889663
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110502520
2-methylsulfanyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8610272

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(6-methyl-2-pyridinyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine (CID 4607845) is N-(6-methyl-2-pyridinyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(-c3ccc(C(C)C)cc3)cs2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine?
The InChIKey is GBTWSRPVRYOUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-12(2)14-7-9-15(10-8-14)16-11-22-18(20-16)21-17-6-4-5-13(3)19-17/h4-12H,1-3H3,(H,19,20,21).
What are the key properties of N-(6-methyl-2-pyridinyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine?
N-(6-methyl-2-pyridinyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine has a molecular weight of 309.44 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 4607845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).