N-(3-amino-3-oxopropyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide

C15H17N3O2S — CID 56816608

IUPACN-(3-amino-3-oxopropyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(CCC(N)=O)Cc1ccccc1
InChIInChI=1S/C15H17N3O2S/c1-11-14(21-10-17-11)15(20)18(8-7-13(16)19)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H2,16,19)
InChIKeyHCNFEAAJEZSSEZ-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.97
Rot. Bonds6

About N-(3-amino-3-oxopropyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide

N-(3-amino-3-oxopropyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 56816608) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID56816608
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-(3-amino-3-oxopropyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(CCC(N)=O)Cc1ccccc1
InChIInChI=1S/C15H17N3O2S/c1-11-14(21-10-17-11)15(20)18(8-7-13(16)19)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H2,16,19)
InChIKeyHCNFEAAJEZSSEZ-UHFFFAOYSA-N
XLogP1.97
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-chloroethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 63390843
N-[(4-aminophenyl)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 43459474
1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997
N-(3-amino-3-oxopropyl)-N-benzyl-1,3-thiazole-4-carboxamide
CID 63048716
N-(3-amino-3-oxopropyl)-N-benzyl-1,2,5-thiadiazole-3-carboxamide
CID 47350587
N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide
CID 28642307
N-benzyl-N-(2-hydroxyethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84557818
N-(3-amino-3-oxopropyl)-N-benzyl-2-ethyl-5-methylpyrazole-3-carboxamide
CID 60619816
N-(3-amino-3-oxopropyl)-N-benzyl-2-methoxypyridine-3-carboxamide
CID 134003290
N-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide
CID 28642305
N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999
N-(3-amino-3-oxopropyl)-N-benzyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 56810430

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide (CID 56816608) is N-(3-amino-3-oxopropyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N(CCC(N)=O)Cc1ccccc1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is HCNFEAAJEZSSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-11-14(21-10-17-11)15(20)18(8-7-13(16)19)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H2,16,19).
What are the key properties of N-(3-amino-3-oxopropyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide?
N-(3-amino-3-oxopropyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56816608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).