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

C15H19N3O3S — CID 660396

IUPAC[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc(NC(C)C)nc2N)cc1OC
InChIInChI=1S/C15H19N3O3S/c1-8(2)17-15-18-14(16)13(22-15)12(19)9-5-6-10(20-3)11(7-9)21-4/h5-8H,16H2,1-4H3,(H,17,18)
InChIKeyURZWPVBVDZECQP-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.79
Rot. Bonds6

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

[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(3,4-dimethoxyphenyl)methanone (PubChem CID 660396) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(3,4-dimethoxyphenyl)methanone
PubChem CID660396
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc(NC(C)C)nc2N)cc1OC
InChIInChI=1S/C15H19N3O3S/c1-8(2)17-15-18-14(16)13(22-15)12(19)9-5-6-10(20-3)11(7-9)21-4/h5-8H,16H2,1-4H3,(H,17,18)
InChIKeyURZWPVBVDZECQP-UHFFFAOYSA-N
XLogP2.79
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(4-Amino-2-anilino-1,3-thiazol-5-yl)(4-methoxyphenyl)methanone
CID 399616
(4-Amino-2-anilino-1,3-thiazol-5-yl)(3,4-dimethoxyphenyl)methanone
CID 1512279
2-[(3,4-dimethoxybenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 897375
[4-Amino-2-(Phenylamino)-1,3-Thiazol-5-Yl](3-Methoxyphenyl)methanone
CID 44250180
1-[2-[2-(3,4-Dimethoxyphenyl)ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 963393
[4-Amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone
CID 660516
(4-Amino-2-((4-methoxyphenyl)amino)thiazol-5-yl)(3,4-dimethoxyphenyl)methanone
CID 1512282
(4-Amino-2-anilino-1,3-thiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 20590560
[2-(Allylamino)-4-amino-1,3-thiazol-5-yl](1,3-benzodioxol-5-yl)methanone
CID 660775
[4-Amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 44250150
[4-Amino-2-(4-fluoroanilino)-1,3-thiazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 44250216
[4-Amino-2-(4-methylanilino)-1,3-thiazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 44250217

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(3,4-dimethoxyphenyl)methanone (CID 660396) is [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(3,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)c2sc(NC(C)C)nc2N)cc1OC.
What is the InChIKey of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(3,4-dimethoxyphenyl)methanone?
The InChIKey is URZWPVBVDZECQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-8(2)17-15-18-14(16)13(22-15)12(19)9-5-6-10(20-3)11(7-9)21-4/h5-8H,16H2,1-4H3,(H,17,18).
What are the key properties of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(3,4-dimethoxyphenyl)methanone?
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(3,4-dimethoxyphenyl)methanone has a molecular weight of 321.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 660396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).