2-(2-aminoethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-1,3-thiazole-4-carboxamide

C19H27N3O2S — CID 120622071

IUPAC2-(2-aminoethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(CCc1ccc(OC(C)C)cc1)NC(=O)c1csc(CCN)n1
InChIInChI=1S/C19H27N3O2S/c1-13(2)24-16-8-6-15(7-9-16)5-4-14(3)21-19(23)17-12-25-18(22-17)10-11-20/h6-9,12-14H,4-5,10-11,20H2,1-3H3,(H,21,23)
InChIKeyCXLIJVGTDFGISD-UHFFFAOYSA-N
MW361.51 g/mol
LogP3.18
Rot. Bonds9

About 2-(2-aminoethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 120622071) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID120622071
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name2-(2-aminoethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(CCc1ccc(OC(C)C)cc1)NC(=O)c1csc(CCN)n1
InChIInChI=1S/C19H27N3O2S/c1-13(2)24-16-8-6-15(7-9-16)5-4-14(3)21-19(23)17-12-25-18(22-17)10-11-20/h6-9,12-14H,4-5,10-11,20H2,1-3H3,(H,21,23)
InChIKeyCXLIJVGTDFGISD-UHFFFAOYSA-N
XLogP3.18
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374744
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120615972
2-(2-aminoethyl)-N-(2-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120627670
2-(2-aminoethyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81368658
2-(2-aminoethyl)-N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 120633185
2-(2-aminoethyl)-N-(1-cyclopropylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120632758
2-(2-aminoethyl)-N-[2-(4-chlorophenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 120636237
methyl (2R)-2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]propanoate;hydrochloride
CID 120632197
2-(2-aminoethyl)-N-[1-(2-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622303
2-(aminomethyl)-N-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119707103
2-(2-aminoethyl)-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide
CID 66373417
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-3-(4-methoxyphenyl)propan-1-one
CID 116585377

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-1,3-thiazole-4-carboxamide (CID 120622071) is 2-(2-aminoethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-1,3-thiazole-4-carboxamide is CC(CCc1ccc(OC(C)C)cc1)NC(=O)c1csc(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is CXLIJVGTDFGISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-13(2)24-16-8-6-15(7-9-16)5-4-14(3)21-19(23)17-12-25-18(22-17)10-11-20/h6-9,12-14H,4-5,10-11,20H2,1-3H3,(H,21,23).
What are the key properties of 2-(2-aminoethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 361.51 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120622071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).