4-(2,2-dimethylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-amine

C13H17N3S — CID 23988926

IUPAC4-(2,2-dimethylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCC(C)(C)Cc1csc(Nc2cccnc2)n1
InChIInChI=1S/C13H17N3S/c1-13(2,3)7-11-9-17-12(16-11)15-10-5-4-6-14-8-10/h4-6,8-9H,7H2,1-3H3,(H,15,16)
InChIKeyNQPZPJFIPXDYKN-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.87
Rot. Bonds3

About 4-(2,2-dimethylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-amine

4-(2,2-dimethylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 23988926) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID23988926
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name4-(2,2-dimethylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCC(C)(C)Cc1csc(Nc2cccnc2)n1
InChIInChI=1S/C13H17N3S/c1-13(2,3)7-11-9-17-12(16-11)15-10-5-4-6-14-8-10/h4-6,8-9H,7H2,1-3H3,(H,15,16)
InChIKeyNQPZPJFIPXDYKN-UHFFFAOYSA-N
XLogP3.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784
(2-anilino-1,3-thiazol-4-yl)methyl pyridine-3-carboxylate
CID 2097661
N-methyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 167872617
N-(3-acetylphenyl)-2-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 90510250
ethyl 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 90510175
1-N-pentyl-4-N-[4-(pyridin-3-ylmethyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 58791725
5-methyl-N-pyridin-3-yl-1,3,4-thiadiazol-2-amine
CID 2725837
4-N,6-N-diethyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4,6-triamine
CID 7589444
N-(3,5-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58910456
4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazole-2-carboxamide
CID 87680694
N-pyridin-2-yl-4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine;N-pyridin-3-yl-4-[3-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
CID 18428300
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-3-amine
CID 82539208

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,2-dimethylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-amine (CID 23988926) is 4-(2,2-dimethylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-amine is CC(C)(C)Cc1csc(Nc2cccnc2)n1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is NQPZPJFIPXDYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-13(2,3)7-11-9-17-12(16-11)15-10-5-4-6-14-8-10/h4-6,8-9H,7H2,1-3H3,(H,15,16).
What are the key properties of 4-(2,2-dimethylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-amine?
4-(2,2-dimethylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 247.37 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 23988926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).