(2S)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide

C17H18N4O3S — CID 51583896

IUPAC(2S)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)[C@H](C)n3ccnc3)n2)c1
InChIInChI=1S/C17H18N4O3S/c1-11(21-7-6-18-10-21)16(22)20-17-19-14(9-25-17)13-8-12(23-2)4-5-15(13)24-3/h4-11H,1-3H3,(H,19,20,22)/t11-/m0/s1
InChIKeyIQVOIDBKMOHUSS-NSHDSACASA-N
MW358.42 g/mol
LogP3.22
Rot. Bonds6

About (2S)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide

(2S)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide (PubChem CID 51583896) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is (2S)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide
PubChem CID51583896
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name(2S)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)[C@H](C)n3ccnc3)n2)c1
InChIInChI=1S/C17H18N4O3S/c1-11(21-7-6-18-10-21)16(22)20-17-19-14(9-25-17)13-8-12(23-2)4-5-15(13)24-3/h4-11H,1-3H3,(H,19,20,22)/t11-/m0/s1
InChIKeyIQVOIDBKMOHUSS-NSHDSACASA-N
XLogP3.22
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 42994672
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119679949
(2S)-2-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,3-dimethylbutanamide
CID 119679944
methyl N-[1-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 47991752
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methylpropanoylamino)benzamide
CID 39092880
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxypropanamide
CID 48847769
(2R)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxypropanamide
CID 94816049
2-imidazol-1-yl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 71685846
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 3914278
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylpropoxy)propanamide
CID 38961150

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide?
The IUPAC name of (2S)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide (CID 51583896) is (2S)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide?
The canonical SMILES for (2S)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide is COc1ccc(OC)c(-c2csc(NC(=O)[C@H](C)n3ccnc3)n2)c1.
What is the InChIKey of (2S)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide?
The InChIKey is IQVOIDBKMOHUSS-NSHDSACASA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-11(21-7-6-18-10-21)16(22)20-17-19-14(9-25-17)13-8-12(23-2)4-5-15(13)24-3/h4-11H,1-3H3,(H,19,20,22)/t11-/m0/s1.
What are the key properties of (2S)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide?
(2S)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide has a molecular weight of 358.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 51583896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).