(2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone

C10H15N3OS — CID 62793149

IUPAC(2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone
SMILESNc1nc(C(=O)N2CCCCCC2)cs1
InChIInChI=1S/C10H15N3OS/c11-10-12-8(7-15-10)9(14)13-5-3-1-2-4-6-13/h7H,1-6H2,(H2,11,12)
InChIKeySVJDHOPYYCLBCS-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.74
Rot. Bonds1

About (2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone

(2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone (PubChem CID 62793149) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone
PubChem CID62793149
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name(2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone
SMILESNc1nc(C(=O)N2CCCCCC2)cs1
InChIInChI=1S/C10H15N3OS/c11-10-12-8(7-15-10)9(14)13-5-3-1-2-4-6-13/h7H,1-6H2,(H2,11,12)
InChIKeySVJDHOPYYCLBCS-UHFFFAOYSA-N
XLogP1.74
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 62787370
(2-amino-1,3-thiazol-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 62788252
2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]acetic acid
CID 62787048
(2-amino-1,3-thiazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408809
[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 62787900
[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]carbamic acid
CID 134208778
3-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]propanoic acid
CID 62787216
ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 62788546
(2-amino-1,3-thiazol-4-yl)-(3-methoxypiperidin-1-yl)methanone
CID 102957562
(2-amino-1,3-thiazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 62787759
[2-(4-methylphenyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
CID 17474442
(2-amino-1,3-thiazol-4-yl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 164689941

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone?
The IUPAC name of (2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone (CID 62793149) is (2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone is Nc1nc(C(=O)N2CCCCCC2)cs1.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone?
The InChIKey is SVJDHOPYYCLBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c11-10-12-8(7-15-10)9(14)13-5-3-1-2-4-6-13/h7H,1-6H2,(H2,11,12).
What are the key properties of (2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone?
(2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone has a molecular weight of 225.32 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone is sourced from PubChem (CID 62793149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).