4-amino-N-[1-(4-methoxyphenyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide

C14H18N4O2S — CID 116671117

IUPAC4-amino-N-[1-(4-methoxyphenyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)NC(C)c2ccc(OC)cc2)s1
InChIInChI=1S/C14H18N4O2S/c1-8(9-4-6-10(20-3)7-5-9)17-13(19)11-12(15)18-14(16-2)21-11/h4-8H,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyRFPXFOGBIFZFGL-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.27
Rot. Bonds5

About 4-amino-N-[1-(4-methoxyphenyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide

4-amino-N-[1-(4-methoxyphenyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116671117) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-amino-N-[1-(4-methoxyphenyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-methoxyphenyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
PubChem CID116671117
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name4-amino-N-[1-(4-methoxyphenyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)NC(C)c2ccc(OC)cc2)s1
InChIInChI=1S/C14H18N4O2S/c1-8(9-4-6-10(20-3)7-5-9)17-13(19)11-12(15)18-14(16-2)21-11/h4-8H,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyRFPXFOGBIFZFGL-UHFFFAOYSA-N
XLogP2.27
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(1-phenylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667931
5-amino-N-[1-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624604
4-methyl-2-(methylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110386327
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81364308
2-(cyclohexylamino)-N-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 53365629
4-amino-2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide
CID 116669916
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(methylamino)benzamide
CID 81368855
4-amino-2-(methylamino)-N-octan-4-yl-1,3-thiazole-5-carboxamide
CID 106029168
5-chloro-N-[1-(4-methoxyphenyl)ethyl]-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 123870514
5-(ethylamino)-N-[1-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617577
2-(2-ethylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 95394541

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-methoxyphenyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[1-(4-methoxyphenyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide (CID 116671117) is 4-amino-N-[1-(4-methoxyphenyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(4-methoxyphenyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[1-(4-methoxyphenyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide is CNc1nc(N)c(C(=O)NC(C)c2ccc(OC)cc2)s1.
What is the InChIKey of 4-amino-N-[1-(4-methoxyphenyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is RFPXFOGBIFZFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-8(9-4-6-10(20-3)7-5-9)17-13(19)11-12(15)18-14(16-2)21-11/h4-8H,15H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 4-amino-N-[1-(4-methoxyphenyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-[1-(4-methoxyphenyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-methoxyphenyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).