N-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)-2-methyl-5-(4-methylphenyl)-1,3-thiazole-4-carboxamide

C18H21N3O2S — CID 68723615

IUPACN-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)-2-methyl-5-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2sc(C)nc2C(=O)N(CC(N)=O)CC2CC2)cc1
InChIInChI=1S/C18H21N3O2S/c1-11-3-7-14(8-4-11)17-16(20-12(2)24-17)18(23)21(10-15(19)22)9-13-5-6-13/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H2,19,22)
InChIKeyIREGWXZXBSRLAW-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.76
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)-2-methyl-5-(4-methylphenyl)-1,3-thiazole-4-carboxamide

N-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)-2-methyl-5-(4-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 68723615) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)-2-methyl-5-(4-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)-2-methyl-5-(4-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID68723615
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)-2-methyl-5-(4-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2sc(C)nc2C(=O)N(CC(N)=O)CC2CC2)cc1
InChIInChI=1S/C18H21N3O2S/c1-11-3-7-14(8-4-11)17-16(20-12(2)24-17)18(23)21(10-15(19)22)9-13-5-6-13/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H2,19,22)
InChIKeyIREGWXZXBSRLAW-UHFFFAOYSA-N
XLogP2.76
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)-2-methyl-5-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)-2-methyl-5-(4-methylphenyl)-1,3-thiazole-4-carboxamide (CID 68723615) is N-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)-2-methyl-5-(4-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)-2-methyl-5-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)-2-methyl-5-(4-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2sc(C)nc2C(=O)N(CC(N)=O)CC2CC2)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)-2-methyl-5-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is IREGWXZXBSRLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-11-3-7-14(8-4-11)17-16(20-12(2)24-17)18(23)21(10-15(19)22)9-13-5-6-13/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H2,19,22).
What are the key properties of N-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)-2-methyl-5-(4-methylphenyl)-1,3-thiazole-4-carboxamide?
N-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)-2-methyl-5-(4-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)-2-methyl-5-(4-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 68723615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).