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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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).