4-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-yl-1,4-diazepane-1-carboxamide

C15H19N5OS — CID 86836952

IUPAC4-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-yl-1,4-diazepane-1-carboxamide
SMILESCc1csc(N2CCCN(C(=O)Nc3ccncc3)CC2)n1
InChIInChI=1S/C15H19N5OS/c1-12-11-22-15(17-12)20-8-2-7-19(9-10-20)14(21)18-13-3-5-16-6-4-13/h3-6,11H,2,7-10H2,1H3,(H,16,18,21)
InChIKeyXLQKBDFBTJIWAN-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.59
Rot. Bonds2

About 4-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-yl-1,4-diazepane-1-carboxamide

4-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-yl-1,4-diazepane-1-carboxamide (PubChem CID 86836952) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 4-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-yl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-yl-1,4-diazepane-1-carboxamide
PubChem CID86836952
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name4-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-yl-1,4-diazepane-1-carboxamide
SMILESCc1csc(N2CCCN(C(=O)Nc3ccncc3)CC2)n1
InChIInChI=1S/C15H19N5OS/c1-12-11-22-15(17-12)20-8-2-7-19(9-10-20)14(21)18-13-3-5-16-6-4-13/h3-6,11H,2,7-10H2,1H3,(H,16,18,21)
InChIKeyXLQKBDFBTJIWAN-UHFFFAOYSA-N
XLogP2.59
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methyl-3-(tetrazol-1-yl)phenyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 86837518
4-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 47193079
4-(4-methyl-1,3-thiazol-2-yl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-1,4-diazepane-1-carboxamide
CID 86962679
N-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986799
N-(2-chloro-4-nitrophenyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 86837096
N-(5-fluoro-2-pyridinyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 99596550
(1-hydroxycyclopentyl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 110907587
furan-3-yl-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 47381052
[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 25268514
N-(1-methyl-2-oxo-3-pyridinyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 71992047
[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 167790601
methyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 110710922

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-yl-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-yl-1,4-diazepane-1-carboxamide (CID 86836952) is 4-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-yl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-yl-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-yl-1,4-diazepane-1-carboxamide is Cc1csc(N2CCCN(C(=O)Nc3ccncc3)CC2)n1.
What is the InChIKey of 4-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-yl-1,4-diazepane-1-carboxamide?
The InChIKey is XLQKBDFBTJIWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-12-11-22-15(17-12)20-8-2-7-19(9-10-20)14(21)18-13-3-5-16-6-4-13/h3-6,11H,2,7-10H2,1H3,(H,16,18,21).
What are the key properties of 4-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-yl-1,4-diazepane-1-carboxamide?
4-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-yl-1,4-diazepane-1-carboxamide has a molecular weight of 317.42 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-yl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 86836952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).