N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-2-carboxamide

C14H14N2OS — CID 110467968

IUPACN-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1)c1nccs1
InChIInChI=1S/C14H14N2OS/c17-12(13-15-8-9-18-13)16-10-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,16,17)
InChIKeyQIGMTTSVZJGKPL-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.60
Rot. Bonds4

About N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-2-carboxamide

N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-2-carboxamide (PubChem CID 110467968) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-2-carboxamide
PubChem CID110467968
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC NameN-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-2-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1)c1nccs1
InChIInChI=1S/C14H14N2OS/c17-12(13-15-8-9-18-13)16-10-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,16,17)
InChIKeyQIGMTTSVZJGKPL-UHFFFAOYSA-N
XLogP2.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-diphenylethyl)-1,3-thiazole-2-carboxamide
CID 91094529
2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide
CID 110467135
2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide
CID 29293830
N-(2-methyl-2-phenylpropyl)-1,3-thiazole-2-carboxamide
CID 110467972
1-methoxy-3-[(1-phenylcyclopropyl)methyl]urea
CID 47159768
N-(aminomethyl)-1,3-thiazole-2-carboxamide
CID 123824838
N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
CID 20596215
N-[(1-phenylcyclopropyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 18144092
1-[(1-phenylcyclopropyl)methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 56814220
5,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 46462401
2-amino-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110459326
4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 82546336

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-2-carboxamide (CID 110467968) is N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-2-carboxamide is O=C(NCC1(c2ccccc2)CC1)c1nccs1.
What is the InChIKey of N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-2-carboxamide?
The InChIKey is QIGMTTSVZJGKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c17-12(13-15-8-9-18-13)16-10-14(6-7-14)11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,16,17).
What are the key properties of N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-2-carboxamide?
N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-2-carboxamide has a molecular weight of 258.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 110467968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).