N-[(1S)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

C16H18N2O2S — CID 124527848

IUPACN-[(1S)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(N(C(=O)c2cscn2)[C@@H](C)C2CC2)cc1
InChIInChI=1S/C16H18N2O2S/c1-11(12-3-4-12)18(16(19)15-9-21-10-17-15)13-5-7-14(20-2)8-6-13/h5-12H,3-4H2,1-2H3/t11-/m0/s1
InChIKeyFUDPDHSMEZDYLA-NSHDSACASA-N
MW302.40 g/mol
LogP3.60
Rot. Bonds5

About N-[(1S)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

N-[(1S)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 124527848) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID124527848
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[(1S)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(N(C(=O)c2cscn2)[C@@H](C)C2CC2)cc1
InChIInChI=1S/C16H18N2O2S/c1-11(12-3-4-12)18(16(19)15-9-21-10-17-15)13-5-7-14(20-2)8-6-13/h5-12H,3-4H2,1-2H3/t11-/m0/s1
InChIKeyFUDPDHSMEZDYLA-NSHDSACASA-N
XLogP3.60
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-Methoxyanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 4519833
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 7406147
1-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]-N-(4-methoxyphenyl)-3-piperidinamine
CID 24816858
2-ethynyl-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 168270993
2-benzyl-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 1491567
N-(4-methoxyphenyl)-1-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-3-piperidinamine
CID 24790504
N-(4-methoxyphenyl)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-3-piperidinamine
CID 24790791
[3-[4-(2-Methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 24791310
1-(2-Methoxyphenyl)-4-{1-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-3-piperidinyl}piperazine
CID 24817720
1-[4-(4-Methoxyphenyl)-1,4-diazepan-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 56797757
(2-Chloro-5-isopropylthiazol-4-yl)(4-(4-methoxyphenyl)piperazin-1-yl)methanone
CID 71701623
(3-Methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-(1,3-thiazol-4-yl)methanone
CID 71987116

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 124527848) is N-[(1S)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(N(C(=O)c2cscn2)[C@@H](C)C2CC2)cc1.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FUDPDHSMEZDYLA-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11(12-3-4-12)18(16(19)15-9-21-10-17-15)13-5-7-14(20-2)8-6-13/h5-12H,3-4H2,1-2H3/t11-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
N-[(1S)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 124527848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).