3-(5-cyclopropylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)azetidine-1-carboxamide

C14H15N5OS — CID 166267057

IUPAC3-(5-cyclopropylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)azetidine-1-carboxamide
SMILESO=C(Nc1nccs1)N1CC(c2ncc(C3CC3)cn2)C1
InChIInChI=1S/C14H15N5OS/c20-14(18-13-15-3-4-21-13)19-7-11(8-19)12-16-5-10(6-17-12)9-1-2-9/h3-6,9,11H,1-2,7-8H2,(H,15,18,20)
InChIKeyKRRFTWKIDKBNIJ-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.44
Rot. Bonds3

About 3-(5-cyclopropylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)azetidine-1-carboxamide

3-(5-cyclopropylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)azetidine-1-carboxamide (PubChem CID 166267057) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 3-(5-cyclopropylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(5-cyclopropylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)azetidine-1-carboxamide
PubChem CID166267057
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name3-(5-cyclopropylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)azetidine-1-carboxamide
SMILESO=C(Nc1nccs1)N1CC(c2ncc(C3CC3)cn2)C1
InChIInChI=1S/C14H15N5OS/c20-14(18-13-15-3-4-21-13)19-7-11(8-19)12-16-5-10(6-17-12)9-1-2-9/h3-6,9,11H,1-2,7-8H2,(H,15,18,20)
InChIKeyKRRFTWKIDKBNIJ-UHFFFAOYSA-N
XLogP2.44
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 114278560
(3R)-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 97219637
3-pyrazol-1-yl-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 126946395
N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 127561429
(5aS,9aR)-N-(1,3-thiazol-2-yl)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine-1-carboxamide
CID 97255258
3-[1-(1,3-thiazol-2-ylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62217199
3-[4-(2-oxopyrrolidin-1-yl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 126948219
1-(4-cyclopropylpyrimidine-5-carbonyl)-N-(1,3-thiazol-2-yl)azetidine-3-carboxamide
CID 166293217
2-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 141028315
N-(1,3-thiazol-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 47193208
ethyl 4-(1,3-thiazol-2-ylcarbamoyl)piperazine-1-carboxylate
CID 47148348
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(1,3-thiazol-2-yl)cyclopropane-1,2-dicarboxamide
CID 2313436

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)azetidine-1-carboxamide?
The IUPAC name of 3-(5-cyclopropylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)azetidine-1-carboxamide (CID 166267057) is 3-(5-cyclopropylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(5-cyclopropylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)azetidine-1-carboxamide?
The canonical SMILES for 3-(5-cyclopropylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)azetidine-1-carboxamide is O=C(Nc1nccs1)N1CC(c2ncc(C3CC3)cn2)C1.
What is the InChIKey of 3-(5-cyclopropylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)azetidine-1-carboxamide?
The InChIKey is KRRFTWKIDKBNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c20-14(18-13-15-3-4-21-13)19-7-11(8-19)12-16-5-10(6-17-12)9-1-2-9/h3-6,9,11H,1-2,7-8H2,(H,15,18,20).
What are the key properties of 3-(5-cyclopropylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)azetidine-1-carboxamide?
3-(5-cyclopropylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)azetidine-1-carboxamide has a molecular weight of 301.38 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)azetidine-1-carboxamide is sourced from PubChem (CID 166267057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).