(3-aminopyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone

C14H18N6OS — CID 56819113

IUPAC(3-aminopyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
SMILESCc1csc(N2CCCN(C(=O)c3nccnc3N)CC2)n1
InChIInChI=1S/C14H18N6OS/c1-10-9-22-14(18-10)20-6-2-5-19(7-8-20)13(21)11-12(15)17-4-3-16-11/h3-4,9H,2,5-8H2,1H3,(H2,15,17)
InChIKeyHDVJJPBOFMZMDW-UHFFFAOYSA-N
MW318.41 g/mol
LogP1.18
Rot. Bonds2

About (3-aminopyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone

(3-aminopyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone (PubChem CID 56819113) has the molecular formula C14H18N6OS and a molecular weight of 318.41 g/mol. Its IUPAC name is (3-aminopyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(3-aminopyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
PubChem CID56819113
Molecular FormulaC14H18N6OS
Molecular Weight318.41 g/mol
Exact Mass318.13
IUPAC Name(3-aminopyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
SMILESCc1csc(N2CCCN(C(=O)c3nccnc3N)CC2)n1
InChIInChI=1S/C14H18N6OS/c1-10-9-22-14(18-10)20-6-2-5-19(7-8-20)13(21)11-12(15)17-4-3-16-11/h3-4,9H,2,5-8H2,1H3,(H2,15,17)
InChIKeyHDVJJPBOFMZMDW-UHFFFAOYSA-N
XLogP1.18
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 1547964
5-methyl-N-(thiazol-2-yl)pyrazine-2-carboxamide
CID 2379361
N-thiazol-2-ylpyrazine-2-carboxamide
CID 470918
6-Chloro-N-(4-methyl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 16072448
4-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47283805
2-ethyl-4-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 49385088
2-[Methyl(pyrazin-2-yl)amino]-1-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 53589508
[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(1H-imidazol-5-yl)methanone
CID 53600170
(5-Methylpyrazin-2-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53610303
[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 53614121
[4-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone
CID 56802174
(5-Methylpyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 56819111

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of (3-aminopyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone (CID 56819113) is (3-aminopyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (3-aminopyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (3-aminopyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone is Cc1csc(N2CCCN(C(=O)c3nccnc3N)CC2)n1.
What is the InChIKey of (3-aminopyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
The InChIKey is HDVJJPBOFMZMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6OS/c1-10-9-22-14(18-10)20-6-2-5-19(7-8-20)13(21)11-12(15)17-4-3-16-11/h3-4,9H,2,5-8H2,1H3,(H2,15,17).
What are the key properties of (3-aminopyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone?
(3-aminopyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone has a molecular weight of 318.41 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrazin-2-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 56819113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).