N-pyrimidin-2-yl-1-thiophen-2-ylcyclopropane-1-carboxamide

C12H11N3OS — CID 110698477

IUPACN-pyrimidin-2-yl-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1ncccn1)C1(c2cccs2)CC1
InChIInChI=1S/C12H11N3OS/c16-10(15-11-13-6-2-7-14-11)12(4-5-12)9-3-1-8-17-9/h1-3,6-8H,4-5H2,(H,13,14,15,16)
InChIKeyNYGRWGVQQWIBBP-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.21
Rot. Bonds3

About N-pyrimidin-2-yl-1-thiophen-2-ylcyclopropane-1-carboxamide

N-pyrimidin-2-yl-1-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 110698477) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is N-pyrimidin-2-yl-1-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-pyrimidin-2-yl-1-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID110698477
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC NameN-pyrimidin-2-yl-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1ncccn1)C1(c2cccs2)CC1
InChIInChI=1S/C12H11N3OS/c16-10(15-11-13-6-2-7-14-11)12(4-5-12)9-3-1-8-17-9/h1-3,6-8H,4-5H2,(H,13,14,15,16)
InChIKeyNYGRWGVQQWIBBP-UHFFFAOYSA-N
XLogP2.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 110698475
N',N'-dimethyl-1-thiophen-2-ylcyclopropane-1-carbohydrazide
CID 116848288
N-(2-chlorophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435589
N-(2-fluorophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435427
N-(4-methyl-1,3-thiazol-2-yl)-4-thiophen-2-yloxane-4-carboxamide
CID 7243534
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 90524845
2-hydroxy-1-(1-thiophen-2-ylcyclopropyl)ethanone
CID 46913895
N-(3-chlorophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435317
N-(2,4-difluorophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435435
N-(2-fluorophenyl)-4-thiophen-2-yloxane-4-carboxamide
CID 7243546
N-(2-methoxyphenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435562
N-(6-methyl-2-pyridinyl)-4-thiophen-2-yloxane-4-carboxamide
CID 12005993

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yl-1-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-pyrimidin-2-yl-1-thiophen-2-ylcyclopropane-1-carboxamide (CID 110698477) is N-pyrimidin-2-yl-1-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-pyrimidin-2-yl-1-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-pyrimidin-2-yl-1-thiophen-2-ylcyclopropane-1-carboxamide is O=C(Nc1ncccn1)C1(c2cccs2)CC1.
What is the InChIKey of N-pyrimidin-2-yl-1-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is NYGRWGVQQWIBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c16-10(15-11-13-6-2-7-14-11)12(4-5-12)9-3-1-8-17-9/h1-3,6-8H,4-5H2,(H,13,14,15,16).
What are the key properties of N-pyrimidin-2-yl-1-thiophen-2-ylcyclopropane-1-carboxamide?
N-pyrimidin-2-yl-1-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 245.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yl-1-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 110698477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).