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

C14H17N3O2S — CID 42647858

IUPAC[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc(NC(C)C)nc2N)cc1
InChIInChI=1S/C14H17N3O2S/c1-8(2)16-14-17-13(15)12(20-14)11(18)9-4-6-10(19-3)7-5-9/h4-8H,15H2,1-3H3,(H,16,17)
InChIKeyGFQHDZKWGDAVFO-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.79
Rot. Bonds5

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

[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone (PubChem CID 42647858) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone
PubChem CID42647858
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc(NC(C)C)nc2N)cc1
InChIInChI=1S/C14H17N3O2S/c1-8(2)16-14-17-13(15)12(20-14)11(18)9-4-6-10(19-3)7-5-9/h4-8H,15H2,1-3H3,(H,16,17)
InChIKeyGFQHDZKWGDAVFO-UHFFFAOYSA-N
XLogP2.79
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone (CID 42647858) is [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2sc(NC(C)C)nc2N)cc1.
What is the InChIKey of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone?
The InChIKey is GFQHDZKWGDAVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-8(2)16-14-17-13(15)12(20-14)11(18)9-4-6-10(19-3)7-5-9/h4-8H,15H2,1-3H3,(H,16,17).
What are the key properties of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone?
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone has a molecular weight of 291.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 42647858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).