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

C14H18N4O2S — CID 116668197

IUPAC4-amino-2-(ethylamino)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NCc2ccc(OC)cc2)s1
InChIInChI=1S/C14H18N4O2S/c1-3-16-14-18-12(15)11(21-14)13(19)17-8-9-4-6-10(20-2)7-5-9/h4-7H,3,8,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyMVAGGTKXLITTKY-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.10
Rot. Bonds6

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

4-amino-2-(ethylamino)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 116668197) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-amino-2-(ethylamino)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(ethylamino)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID116668197
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name4-amino-2-(ethylamino)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NCc2ccc(OC)cc2)s1
InChIInChI=1S/C14H18N4O2S/c1-3-16-14-18-12(15)11(21-14)13(19)17-8-9-4-6-10(20-2)7-5-9/h4-7H,3,8,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyMVAGGTKXLITTKY-UHFFFAOYSA-N
XLogP2.10
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 116665794
4-amino-2-(ethylamino)-N-(2-methoxypropyl)-1,3-thiazole-5-carboxamide
CID 102702187
4-amino-2-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116663961
4-amino-2-(ethylamino)-N-[(3-ethyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 116672026
4-amino-N-benzyl-2-(tert-butylamino)-1,3-thiazole-5-carboxamide
CID 116668033
4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667670
4-amino-2-(ethylamino)-N-hexadecyl-1,3-thiazole-5-carboxamide
CID 171133620
4-amino-2-(ethylamino)-N-(3-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116665055
4-amino-2-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
CID 116665947
3-amino-5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 66744013
4-amino-2-(ethylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116665964
4-amino-2-(ethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116671010

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(ethylamino)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(ethylamino)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide (CID 116668197) is 4-amino-2-(ethylamino)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(ethylamino)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(ethylamino)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide is CCNc1nc(N)c(C(=O)NCc2ccc(OC)cc2)s1.
What is the InChIKey of 4-amino-2-(ethylamino)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is MVAGGTKXLITTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-3-16-14-18-12(15)11(21-14)13(19)17-8-9-4-6-10(20-2)7-5-9/h4-7H,3,8,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 4-amino-2-(ethylamino)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(ethylamino)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(ethylamino)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).