1-(4-cyclopropylpyrimidine-5-carbonyl)-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide

C15H15N5O2S — CID 166293217

IUPAC1-(4-cyclopropylpyrimidine-5-carbonyl)-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CN(C(=O)c2cncnc2C2CC2)C1
InChIInChI=1S/C15H15N5O2S/c21-13(19-15-17-3-4-23-15)10-6-20(7-10)14(22)11-5-16-8-18-12(11)9-1-2-9/h3-5,8-10H,1-2,6-7H2,(H,17,19,21)
InChIKeyGHNNQAMZTVCLKO-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.52
Rot. Bonds4

About 1-(4-cyclopropylpyrimidine-5-carbonyl)-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide

1-(4-cyclopropylpyrimidine-5-carbonyl)-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide (PubChem CID 166293217) has the molecular formula C15H15N5O2S and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-(4-cyclopropylpyrimidine-5-carbonyl)-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-cyclopropylpyrimidine-5-carbonyl)-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide
PubChem CID166293217
Molecular FormulaC15H15N5O2S
Molecular Weight329.38 g/mol
Exact Mass329.09
IUPAC Name1-(4-cyclopropylpyrimidine-5-carbonyl)-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CN(C(=O)c2cncnc2C2CC2)C1
InChIInChI=1S/C15H15N5O2S/c21-13(19-15-17-3-4-23-15)10-6-20(7-10)14(22)11-5-16-8-18-12(11)9-1-2-9/h3-5,8-10H,1-2,6-7H2,(H,17,19,21)
InChIKeyGHNNQAMZTVCLKO-UHFFFAOYSA-N
XLogP1.52
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 48692113
1-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide
CID 167767670
(3R)-1-(2-methoxybenzoyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94132003
3-(5-cyclopropylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)azetidine-1-carboxamide
CID 166267057
tert-butyl (3R)-3-(1,3-thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 41113080
1-(naphthalene-1-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 17447647
9-oxo-N-(1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 5067003
3-fluoro-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 126794153
1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47245076
(3S)-1-pyrimidin-2-yl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 124976321
N-(1,3-thiazol-2-yl)azetidine-2-carboxamide
CID 130992868
(4-methylpyrimidin-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124553964

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylpyrimidine-5-carbonyl)-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide?
The IUPAC name of 1-(4-cyclopropylpyrimidine-5-carbonyl)-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide (CID 166293217) is 1-(4-cyclopropylpyrimidine-5-carbonyl)-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for 1-(4-cyclopropylpyrimidine-5-carbonyl)-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide?
The canonical SMILES for 1-(4-cyclopropylpyrimidine-5-carbonyl)-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide is O=C(Nc1nccs1)C1CN(C(=O)c2cncnc2C2CC2)C1.
What is the InChIKey of 1-(4-cyclopropylpyrimidine-5-carbonyl)-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide?
The InChIKey is GHNNQAMZTVCLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c21-13(19-15-17-3-4-23-15)10-6-20(7-10)14(22)11-5-16-8-18-12(11)9-1-2-9/h3-5,8-10H,1-2,6-7H2,(H,17,19,21).
What are the key properties of 1-(4-cyclopropylpyrimidine-5-carbonyl)-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide?
1-(4-cyclopropylpyrimidine-5-carbonyl)-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylpyrimidine-5-carbonyl)-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 166293217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).