[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-phenylmethanone

C13H15N3OS — CID 15323467

IUPAC[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESCC(C)Nc1nc(N)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C13H15N3OS/c1-8(2)15-13-16-12(14)11(18-13)10(17)9-6-4-3-5-7-9/h3-8H,14H2,1-2H3,(H,15,16)
InChIKeyWHJIFFVMTRXENN-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.78
Rot. Bonds4

About [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-phenylmethanone

[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 15323467) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID15323467
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESCC(C)Nc1nc(N)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C13H15N3OS/c1-8(2)15-13-16-12(14)11(18-13)10(17)9-6-4-3-5-7-9/h3-8H,14H2,1-2H3,(H,15,16)
InChIKeyWHJIFFVMTRXENN-UHFFFAOYSA-N
XLogP2.78
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-phenylmethanone (CID 15323467) is [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-phenylmethanone is CC(C)Nc1nc(N)c(C(=O)c2ccccc2)s1.
What is the InChIKey of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is WHJIFFVMTRXENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-8(2)15-13-16-12(14)11(18-13)10(17)9-6-4-3-5-7-9/h3-8H,14H2,1-2H3,(H,15,16).
What are the key properties of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-phenylmethanone?
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 261.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 15323467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).