N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantane-1-carboxamide

C19H26N2OS — CID 110718285

IUPACN-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantane-1-carboxamide
SMILESCc1nc(CN(C(=O)C23CC4CC(CC(C4)C2)C3)C2CC2)cs1
InChIInChI=1S/C19H26N2OS/c1-12-20-16(11-23-12)10-21(17-2-3-17)18(22)19-7-13-4-14(8-19)6-15(5-13)9-19/h11,13-15,17H,2-10H2,1H3
InChIKeyOKGKIZUWMCIXFU-UHFFFAOYSA-N
MW330.50 g/mol
LogP4.16
Rot. Bonds4

About N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantane-1-carboxamide

N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantane-1-carboxamide (PubChem CID 110718285) has the molecular formula C19H26N2OS and a molecular weight of 330.50 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantane-1-carboxamide
PubChem CID110718285
Molecular FormulaC19H26N2OS
Molecular Weight330.50 g/mol
Exact Mass330.18
IUPAC NameN-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantane-1-carboxamide
SMILESCc1nc(CN(C(=O)C23CC4CC(CC(C4)C2)C3)C2CC2)cs1
InChIInChI=1S/C19H26N2OS/c1-12-20-16(11-23-12)10-21(17-2-3-17)18(22)19-7-13-4-14(8-19)6-15(5-13)9-19/h11,13-15,17H,2-10H2,1H3
InChIKeyOKGKIZUWMCIXFU-UHFFFAOYSA-N
XLogP4.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea
CID 110747823
1-cyclopropyl-3-(2,2-dimethylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 110747826
N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide
CID 110718267
N-cyclopropyl-2,3,4-trifluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 110718279
N-cyclopropyl-2-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110718307
N-cyclopropyl-2-(3-fluorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110718310
N-benzyl-N-cyclopropyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 86855941
N-cyclopropyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 134004488
cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
CID 96519480
ethyl 2-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 54983735
1-(aminomethyl)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide
CID 115442008
3-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]amino]propanoic acid
CID 106038213

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantane-1-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantane-1-carboxamide (CID 110718285) is N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantane-1-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantane-1-carboxamide is Cc1nc(CN(C(=O)C23CC4CC(CC(C4)C2)C3)C2CC2)cs1.
What is the InChIKey of N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantane-1-carboxamide?
The InChIKey is OKGKIZUWMCIXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2OS/c1-12-20-16(11-23-12)10-21(17-2-3-17)18(22)19-7-13-4-14(8-19)6-15(5-13)9-19/h11,13-15,17H,2-10H2,1H3.
What are the key properties of N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantane-1-carboxamide?
N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantane-1-carboxamide has a molecular weight of 330.50 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantane-1-carboxamide is sourced from PubChem (CID 110718285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).