N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide

C18H25N5OS — CID 119070661

IUPACN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
SMILESCc1ncsc1CCNC(=O)N1CCCN(Cc2cccnc2)CC1
InChIInChI=1S/C18H25N5OS/c1-15-17(25-14-21-15)5-7-20-18(24)23-9-3-8-22(10-11-23)13-16-4-2-6-19-12-16/h2,4,6,12,14H,3,5,7-11,13H2,1H3,(H,20,24)
InChIKeyIFUGBKODFZKKEA-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.31
Rot. Bonds5

About N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide

N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide (PubChem CID 119070661) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
PubChem CID119070661
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
SMILESCc1ncsc1CCNC(=O)N1CCCN(Cc2cccnc2)CC1
InChIInChI=1S/C18H25N5OS/c1-15-17(25-14-21-15)5-7-20-18(24)23-9-3-8-22(10-11-23)13-16-4-2-6-19-12-16/h2,4,6,12,14H,3,5,7-11,13H2,1H3,(H,20,24)
InChIKeyIFUGBKODFZKKEA-UHFFFAOYSA-N
XLogP2.31
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide with MolForge

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Related Compounds

N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47139414
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 71892889
4-(pyridin-3-ylmethyl)-N-(2-pyrrol-1-ylethyl)piperazine-1-carboxamide
CID 122563289
N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47238319
N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 23993903
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 96516582
[2-(ethylamino)pyrimidin-5-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 70787566
3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one
CID 136547554
N-naphthalen-2-yl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 74224967
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 122558635
N-(2,3-dimethylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149203
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71990274

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide (CID 119070661) is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide is Cc1ncsc1CCNC(=O)N1CCCN(Cc2cccnc2)CC1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide?
The InChIKey is IFUGBKODFZKKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-15-17(25-14-21-15)5-7-20-18(24)23-9-3-8-22(10-11-23)13-16-4-2-6-19-12-16/h2,4,6,12,14H,3,5,7-11,13H2,1H3,(H,20,24).
What are the key properties of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide?
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 119070661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).