2-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]imidazo[5,1-b][1,3]thiazole-7-carboxamide

C16H16N6OS — CID 165397407

IUPAC2-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]imidazo[5,1-b][1,3]thiazole-7-carboxamide
SMILESNC(=O)c1ncn2cc(-c3nc(N4CCC4)nc4c3CCC4)sc12
InChIInChI=1S/C16H16N6OS/c17-14(23)13-15-22(8-18-13)7-11(24-15)12-9-3-1-4-10(9)19-16(20-12)21-5-2-6-21/h7-8H,1-6H2,(H2,17,23)
InChIKeyJXOHZBCNIIWIEA-UHFFFAOYSA-N
MW340.41 g/mol
LogP1.65
Rot. Bonds3

About 2-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]imidazo[5,1-b][1,3]thiazole-7-carboxamide

2-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]imidazo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 165397407) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]imidazo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound Name2-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]imidazo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID165397407
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC Name2-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]imidazo[5,1-b][1,3]thiazole-7-carboxamide
SMILESNC(=O)c1ncn2cc(-c3nc(N4CCC4)nc4c3CCC4)sc12
InChIInChI=1S/C16H16N6OS/c17-14(23)13-15-22(8-18-13)7-11(24-15)12-9-3-1-4-10(9)19-16(20-12)21-5-2-6-21/h7-8H,1-6H2,(H2,17,23)
InChIKeyJXOHZBCNIIWIEA-UHFFFAOYSA-N
XLogP1.65
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]pyridine-3-carboxamide
CID 167207352
2-(azetidin-1-yl)-4-(1H-imidazol-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 165396376
[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine
CID 165396541
5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indole-2-carbaldehyde;methanamine
CID 165396731
[3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]methanamine
CID 165396314
3-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-N-phenylbenzamide
CID 165396939
4-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]benzamide
CID 171059174
2-[5-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-2,3-dihydro-1H-inden-2-yl]acetic acid
CID 167207278
4-phenyl-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline
CID 17035762
tert-butyl 4-[4-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]phenyl]piperazine-1-carboxylate
CID 165396855
7-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]quinazoline-2,4-diamine
CID 165396067
2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 12602894

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]imidazo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of 2-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]imidazo[5,1-b][1,3]thiazole-7-carboxamide (CID 165397407) is 2-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]imidazo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for 2-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]imidazo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for 2-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]imidazo[5,1-b][1,3]thiazole-7-carboxamide is NC(=O)c1ncn2cc(-c3nc(N4CCC4)nc4c3CCC4)sc12.
What is the InChIKey of 2-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]imidazo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is JXOHZBCNIIWIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c17-14(23)13-15-22(8-18-13)7-11(24-15)12-9-3-1-4-10(9)19-16(20-12)21-5-2-6-21/h7-8H,1-6H2,(H2,17,23).
What are the key properties of 2-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]imidazo[5,1-b][1,3]thiazole-7-carboxamide?
2-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]imidazo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]imidazo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 165397407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).