N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide

C21H30N2OS — CID 118726225

IUPACN-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
SMILESO=C(Nc1ncc(CC2CCCCC2)s1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H30N2OS/c24-19(21-10-15-6-16(11-21)8-17(7-15)12-21)23-20-22-13-18(25-20)9-14-4-2-1-3-5-14/h13-17H,1-12H2,(H,22,23,24)
InChIKeyRKVVFMUGRBQLEB-UHFFFAOYSA-N
MW358.55 g/mol
LogP5.42
Rot. Bonds4

About N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide

N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide (PubChem CID 118726225) has the molecular formula C21H30N2OS and a molecular weight of 358.55 g/mol. Its IUPAC name is N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
PubChem CID118726225
Molecular FormulaC21H30N2OS
Molecular Weight358.55 g/mol
Exact Mass358.21
IUPAC NameN-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
SMILESO=C(Nc1ncc(CC2CCCCC2)s1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H30N2OS/c24-19(21-10-15-6-16(11-21)8-17(7-15)12-21)23-20-22-13-18(25-20)9-14-4-2-1-3-5-14/h13-17H,1-12H2,(H,22,23,24)
InChIKeyRKVVFMUGRBQLEB-UHFFFAOYSA-N
XLogP5.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.55
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(cyclohexylmethyl)thiazol-2-yl]cyclohexanecarboxamide
CID 118726221
3-cyclohexyl-N-[5-(cyclohexylmethyl)thiazol-2-yl]propanamide
CID 118726223
N-[5-(cyclopentylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 145967505
N-(5-benzylthiazol-2-yl)adamantane-1-carboxamide
CID 118726195
N-[5-(cyclohexylmethyl)thiazol-2-yl]-2-methyl-propanamide
CID 118726220
2-cyclohexyl-N-[5-(cyclohexylmethyl)thiazol-2-yl]acetamide
CID 118726222
3-cyclohexyl-N-[5-(cyclopentylmethyl)-1,3-thiazol-2-yl]propanamide
CID 145967806
N-(5-ethyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 145969358
3-cyclohexyl-N-(5-ethyl-1,3-thiazol-2-yl)propanamide
CID 145970464
2-cyclohexyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide
CID 121834436
3-cyclohexyl-N-[5-[(2,3,4,5,6-pentafluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 123189229
3-cyclohexyl-N-[5-[(3,4-difluorocyclohexyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 123485669

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide (CID 118726225) is N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide is O=C(Nc1ncc(CC2CCCCC2)s1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide?
The InChIKey is RKVVFMUGRBQLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2OS/c24-19(21-10-15-6-16(11-21)8-17(7-15)12-21)23-20-22-13-18(25-20)9-14-4-2-1-3-5-14/h13-17H,1-12H2,(H,22,23,24).
What are the key properties of N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide?
N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide has a molecular weight of 358.55 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 118726225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).