3-amino-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1,2-thiazole-4-carboxamide

C14H16N4O2S — CID 91787083

IUPAC3-amino-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1,2-thiazole-4-carboxamide
SMILESNc1nscc1C(=O)NC(c1ccccn1)C1CC(O)C1
InChIInChI=1S/C14H16N4O2S/c15-13-10(7-21-18-13)14(20)17-12(8-5-9(19)6-8)11-3-1-2-4-16-11/h1-4,7-9,12,19H,5-6H2,(H2,15,18)(H,17,20)
InChIKeyGKVLOMLVFWOAEW-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.36
Rot. Bonds4

About 3-amino-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1,2-thiazole-4-carboxamide

3-amino-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1,2-thiazole-4-carboxamide (PubChem CID 91787083) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 3-amino-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1,2-thiazole-4-carboxamide
PubChem CID91787083
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name3-amino-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1,2-thiazole-4-carboxamide
SMILESNc1nscc1C(=O)NC(c1ccccn1)C1CC(O)C1
InChIInChI=1S/C14H16N4O2S/c15-13-10(7-21-18-13)14(20)17-12(8-5-9(19)6-8)11-3-1-2-4-16-11/h1-4,7-9,12,19H,5-6H2,(H2,15,18)(H,17,20)
InChIKeyGKVLOMLVFWOAEW-UHFFFAOYSA-N
XLogP1.36
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1,2-thiazole-4-carboxamide
CID 91774940
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2,3-dimethoxybenzamide
CID 91789954
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]quinoline-2-carboxamide
CID 91787622
5-ethyl-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1H-pyrazole-4-carboxamide
CID 91768711
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3,4-dimethylbenzamide
CID 91773593
3-(dimethylamino)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]benzamide
CID 91794811
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(triazol-2-yl)acetamide
CID 91782416
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 91792638
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide
CID 91788788
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 91780244
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]tetrazolo[1,5-a]pyridine-7-carboxamide
CID 91759644
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-benzoxepine-4-carboxamide
CID 91771820

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1,2-thiazole-4-carboxamide (CID 91787083) is 3-amino-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1,2-thiazole-4-carboxamide is Nc1nscc1C(=O)NC(c1ccccn1)C1CC(O)C1.
What is the InChIKey of 3-amino-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1,2-thiazole-4-carboxamide?
The InChIKey is GKVLOMLVFWOAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c15-13-10(7-21-18-13)14(20)17-12(8-5-9(19)6-8)11-3-1-2-4-16-11/h1-4,7-9,12,19H,5-6H2,(H2,15,18)(H,17,20).
What are the key properties of 3-amino-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1,2-thiazole-4-carboxamide?
3-amino-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1,2-thiazole-4-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 91787083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).