4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-naphthalen-2-yl-1,4-diazepane-1-carboxamide

C21H24N4OS — CID 3520741

IUPAC4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-naphthalen-2-yl-1,4-diazepane-1-carboxamide
SMILESCc1nc(CN2CCCN(C(=O)Nc3ccc4ccccc4c3)CC2)cs1
InChIInChI=1S/C21H24N4OS/c1-16-22-20(15-27-16)14-24-9-4-10-25(12-11-24)21(26)23-19-8-7-17-5-2-3-6-18(17)13-19/h2-3,5-8,13,15H,4,9-12,14H2,1H3,(H,23,26)
InChIKeyGCKFLCLKFXNGEZ-UHFFFAOYSA-N
MW380.52 g/mol
LogP4.34
Rot. Bonds3

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

4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-naphthalen-2-yl-1,4-diazepane-1-carboxamide (PubChem CID 3520741) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-naphthalen-2-yl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-naphthalen-2-yl-1,4-diazepane-1-carboxamide
PubChem CID3520741
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-naphthalen-2-yl-1,4-diazepane-1-carboxamide
SMILESCc1nc(CN2CCCN(C(=O)Nc3ccc4ccccc4c3)CC2)cs1
InChIInChI=1S/C21H24N4OS/c1-16-22-20(15-27-16)14-24-9-4-10-25(12-11-24)21(26)23-19-8-7-17-5-2-3-6-18(17)13-19/h2-3,5-8,13,15H,4,9-12,14H2,1H3,(H,23,26)
InChIKeyGCKFLCLKFXNGEZ-UHFFFAOYSA-N
XLogP4.34
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carboxamide
CID 154837725
4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-pyridin-3-yl-1,4-diazepane-1-carboxamide
CID 154837717
N-(2-iodophenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carboxamide
CID 3802510
4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[3-(2-phenylethynyl)phenyl]piperazine-1-carboxamide
CID 112825394
N-naphthalen-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide
CID 3339911
N-(3-fluoro-4-sulfamoylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 75400074
N-naphthalen-2-yl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 74224967
N-[3-(cyclopropylcarbamoyl)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 55698997
N-[4-hydroxy-3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]phenyl]propanamide
CID 86905409
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 55743294
1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-naphthalen-1-ylprop-2-yn-1-one
CID 3841398
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 55698122

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-naphthalen-2-yl-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-naphthalen-2-yl-1,4-diazepane-1-carboxamide (CID 3520741) is 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-naphthalen-2-yl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-naphthalen-2-yl-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-naphthalen-2-yl-1,4-diazepane-1-carboxamide is Cc1nc(CN2CCCN(C(=O)Nc3ccc4ccccc4c3)CC2)cs1.
What is the InChIKey of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-naphthalen-2-yl-1,4-diazepane-1-carboxamide?
The InChIKey is GCKFLCLKFXNGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-16-22-20(15-27-16)14-24-9-4-10-25(12-11-24)21(26)23-19-8-7-17-5-2-3-6-18(17)13-19/h2-3,5-8,13,15H,4,9-12,14H2,1H3,(H,23,26).
What are the key properties of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-naphthalen-2-yl-1,4-diazepane-1-carboxamide?
4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-naphthalen-2-yl-1,4-diazepane-1-carboxamide has a molecular weight of 380.52 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-naphthalen-2-yl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 3520741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).