N-(1-carbamoylazetidin-3-yl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C13H15N5O2S — CID 146022937

IUPACN-(1-carbamoylazetidin-3-yl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)NC1CN(C(N)=O)C1
InChIInChI=1S/C13H15N5O2S/c1-8-10(21-13(15-8)17-4-2-3-5-17)11(19)16-9-6-18(7-9)12(14)20/h2-5,9H,6-7H2,1H3,(H2,14,20)(H,16,19)
InChIKeyIELXQROMDWCBAT-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.73
Rot. Bonds3

About N-(1-carbamoylazetidin-3-yl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

N-(1-carbamoylazetidin-3-yl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 146022937) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(1-carbamoylazetidin-3-yl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-carbamoylazetidin-3-yl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID146022937
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC NameN-(1-carbamoylazetidin-3-yl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)NC1CN(C(N)=O)C1
InChIInChI=1S/C13H15N5O2S/c1-8-10(21-13(15-8)17-4-2-3-5-17)11(19)16-9-6-18(7-9)12(14)20/h2-5,9H,6-7H2,1H3,(H2,14,20)(H,16,19)
InChIKeyIELXQROMDWCBAT-UHFFFAOYSA-N
XLogP0.73
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
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N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
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N-[2-(4-hydroxyphenyl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
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(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-morpholin-4-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of N-(1-carbamoylazetidin-3-yl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-carbamoylazetidin-3-yl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 146022937) is N-(1-carbamoylazetidin-3-yl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-carbamoylazetidin-3-yl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-carbamoylazetidin-3-yl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is Cc1nc(-n2cccc2)sc1C(=O)NC1CN(C(N)=O)C1.
What is the InChIKey of N-(1-carbamoylazetidin-3-yl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is IELXQROMDWCBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-8-10(21-13(15-8)17-4-2-3-5-17)11(19)16-9-6-18(7-9)12(14)20/h2-5,9H,6-7H2,1H3,(H2,14,20)(H,16,19).
What are the key properties of N-(1-carbamoylazetidin-3-yl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
N-(1-carbamoylazetidin-3-yl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamoylazetidin-3-yl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 146022937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).