N-(2-aminoethyl)-N-cyclopropyl-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide

C17H21N3O2S — CID 68724103

IUPACN-(2-aminoethyl)-N-cyclopropyl-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(-c2sc(C)nc2C(=O)N(CCN)C2CC2)c1
InChIInChI=1S/C17H21N3O2S/c1-11-19-15(17(21)20(9-8-18)13-6-7-13)16(23-11)12-4-3-5-14(10-12)22-2/h3-5,10,13H,6-9,18H2,1-2H3
InChIKeyOBCLLGWVLCPQOU-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.69
Rot. Bonds6

About N-(2-aminoethyl)-N-cyclopropyl-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide

N-(2-aminoethyl)-N-cyclopropyl-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 68724103) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclopropyl-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclopropyl-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID68724103
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-(2-aminoethyl)-N-cyclopropyl-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(-c2sc(C)nc2C(=O)N(CCN)C2CC2)c1
InChIInChI=1S/C17H21N3O2S/c1-11-19-15(17(21)20(9-8-18)13-6-7-13)16(23-11)12-4-3-5-14(10-12)22-2/h3-5,10,13H,6-9,18H2,1-2H3
InChIKeyOBCLLGWVLCPQOU-UHFFFAOYSA-N
XLogP2.69
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclopropyl-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclopropyl-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 68724103) is N-(2-aminoethyl)-N-cyclopropyl-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclopropyl-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclopropyl-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide is COc1cccc(-c2sc(C)nc2C(=O)N(CCN)C2CC2)c1.
What is the InChIKey of N-(2-aminoethyl)-N-cyclopropyl-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is OBCLLGWVLCPQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-11-19-15(17(21)20(9-8-18)13-6-7-13)16(23-11)12-4-3-5-14(10-12)22-2/h3-5,10,13H,6-9,18H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-cyclopropyl-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(2-aminoethyl)-N-cyclopropyl-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclopropyl-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 68724103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).