N-butan-2-yl-4-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-2-amine

C14H19N3S — CID 82452103

IUPACN-butan-2-yl-4-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-2-amine
SMILESCCC(C)Nc1nc(-c2ccc(C)nc2C)cs1
InChIInChI=1S/C14H19N3S/c1-5-9(2)16-14-17-13(8-18-14)12-7-6-10(3)15-11(12)4/h6-9H,5H2,1-4H3,(H,16,17)
InChIKeyHCAHVWQVUBGLIU-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.03
Rot. Bonds4

About N-butan-2-yl-4-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-2-amine

N-butan-2-yl-4-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 82452103) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-butan-2-yl-4-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-2-amine
PubChem CID82452103
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-butan-2-yl-4-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-2-amine
SMILESCCC(C)Nc1nc(-c2ccc(C)nc2C)cs1
InChIInChI=1S/C14H19N3S/c1-5-9(2)16-14-17-13(8-18-14)12-7-6-10(3)15-11(12)4/h6-9H,5H2,1-4H3,(H,16,17)
InChIKeyHCAHVWQVUBGLIU-UHFFFAOYSA-N
XLogP4.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-4-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-4-(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82428283
4-(2-methyl-6-propan-2-yl-3-pyridinyl)-N-propyl-1,3-thiazol-2-amine
CID 82452153
1-ethyl-6-methyl-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridin-2-one
CID 82525387
N-butan-2-yl-4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82423578
N-[(2S)-1-methoxypropan-2-yl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine
CID 2496794
3-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523299
6-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-(2-methoxyethyl)pyridazin-3-one
CID 82442523
N-[(2S)-1-methoxypropan-2-yl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 9268587
N-butan-2-yl-4-[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82424904
N-butan-2-yl-4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82435926
N-[(2S)-1-methoxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 8750414
4-butan-2-yl-3-(2,6-dimethyl-3-pyridinyl)-1H-1,2,4-triazole-5-thione
CID 82452087

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of N-butan-2-yl-4-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-2-amine (CID 82452103) is N-butan-2-yl-4-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-butan-2-yl-4-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-butan-2-yl-4-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-2-amine is CCC(C)Nc1nc(-c2ccc(C)nc2C)cs1.
What is the InChIKey of N-butan-2-yl-4-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is HCAHVWQVUBGLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-5-9(2)16-14-17-13(8-18-14)12-7-6-10(3)15-11(12)4/h6-9H,5H2,1-4H3,(H,16,17).
What are the key properties of N-butan-2-yl-4-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-2-amine?
N-butan-2-yl-4-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 261.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82452103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).