N-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide

C23H27N3O2S — CID 37018670

IUPACN-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide
SMILESCc1cnc(NC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)s1
InChIInChI=1S/C23H27N3O2S/c1-14-12-25-22(29-14)26-20(27)19-4-2-15(3-5-19)13-24-21(28)23-9-16-6-17(10-23)8-18(7-16)11-23/h2-5,12,16-18H,6-11,13H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyZVZMUANYPWKRBP-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.54
Rot. Bonds5

About N-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide

N-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide (PubChem CID 37018670) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is N-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide
PubChem CID37018670
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC NameN-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide
SMILESCc1cnc(NC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)s1
InChIInChI=1S/C23H27N3O2S/c1-14-12-25-22(29-14)26-20(27)19-4-2-15(3-5-19)13-24-21(28)23-9-16-6-17(10-23)8-18(7-16)11-23/h2-5,12,16-18H,6-11,13H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyZVZMUANYPWKRBP-UHFFFAOYSA-N
XLogP4.54
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 47729435
N-[[4-[2-(methylamino)ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide;hydrochloride
CID 119501131
N-[[4-[[3-(dimethylcarbamoyl)phenyl]carbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 32627059
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide
CID 110739344
N-[[4-[(adamantane-1-carbonylamino)carbamoyl]phenyl]methyl]acetamide
CID 18107557
4-(ethylamino)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 62165674
N-[[4-(piperidin-4-ylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 119387048
N-[[4-(2-phenylpropylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 46612410
N-(5-methyl-1,3-thiazol-2-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51198051
N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide
CID 8572532
N-[[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 37424907
6-bromo-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 66463454

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide (CID 37018670) is N-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide is Cc1cnc(NC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)s1.
What is the InChIKey of N-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide?
The InChIKey is ZVZMUANYPWKRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-14-12-25-22(29-14)26-20(27)19-4-2-15(3-5-19)13-24-21(28)23-9-16-6-17(10-23)8-18(7-16)11-23/h2-5,12,16-18H,6-11,13H2,1H3,(H,24,28)(H,25,26,27).
What are the key properties of N-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide?
N-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide has a molecular weight of 409.56 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 37018670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).