[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone

C15H18N4OS — CID 66553067

IUPAC[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone
SMILESNc1nc(NC2CCCCC2)sc1C(=O)c1cccnc1
InChIInChI=1S/C15H18N4OS/c16-14-13(12(20)10-5-4-8-17-9-10)21-15(19-14)18-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,16H2,(H,18,19)
InChIKeyGAZJAWWHSQBFHM-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.10
Rot. Bonds4

About [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone

[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone (PubChem CID 66553067) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone
PubChem CID66553067
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone
SMILESNc1nc(NC2CCCCC2)sc1C(=O)c1cccnc1
InChIInChI=1S/C15H18N4OS/c16-14-13(12(20)10-5-4-8-17-9-10)21-15(19-14)18-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,16H2,(H,18,19)
InChIKeyGAZJAWWHSQBFHM-UHFFFAOYSA-N
XLogP3.10
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone (CID 66553067) is [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone is Nc1nc(NC2CCCCC2)sc1C(=O)c1cccnc1.
What is the InChIKey of [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone?
The InChIKey is GAZJAWWHSQBFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c16-14-13(12(20)10-5-4-8-17-9-10)21-15(19-14)18-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,16H2,(H,18,19).
What are the key properties of [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone?
[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone has a molecular weight of 302.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 66553067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).