4-methyl-N-[3-(methylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide

C12H21N3OS — CID 119431660

IUPAC4-methyl-N-[3-(methylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(C)c(C(=O)NCCCNC)s1
InChIInChI=1S/C12H21N3OS/c1-4-6-10-15-9(2)11(17-10)12(16)14-8-5-7-13-3/h13H,4-8H2,1-3H3,(H,14,16)
InChIKeySUBBPXZXINYTPV-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.74
Rot. Bonds7

About 4-methyl-N-[3-(methylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide

4-methyl-N-[3-(methylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide (PubChem CID 119431660) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 4-methyl-N-[3-(methylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(methylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide
PubChem CID119431660
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name4-methyl-N-[3-(methylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(C)c(C(=O)NCCCNC)s1
InChIInChI=1S/C12H21N3OS/c1-4-6-10-15-9(2)11(17-10)12(16)14-8-5-7-13-3/h13H,4-8H2,1-3H3,(H,14,16)
InChIKeySUBBPXZXINYTPV-UHFFFAOYSA-N
XLogP1.74
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(methoxymethyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide
CID 110374853
4-[[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542951
4-methyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
CID 43600601
2-cyclopentyl-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119433713
2-(4-chlorophenyl)-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide
CID 119432753
2-methyl-2-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 119199794
ethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate
CID 70144784
2-[2-(3-butyl-5-methyl-1,2-oxazol-4-yl)ethyl]-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 90725818
N-butyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 110676610
2-ethyl-4-methyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-1,3-thiazole-5-carboxamide
CID 74236937
N-(5-amino-2-methylphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 120569197
4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
CID 65210223

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(methylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[3-(methylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide (CID 119431660) is 4-methyl-N-[3-(methylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(methylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(methylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide is CCCc1nc(C)c(C(=O)NCCCNC)s1.
What is the InChIKey of 4-methyl-N-[3-(methylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is SUBBPXZXINYTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-4-6-10-15-9(2)11(17-10)12(16)14-8-5-7-13-3/h13H,4-8H2,1-3H3,(H,14,16).
What are the key properties of 4-methyl-N-[3-(methylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide?
4-methyl-N-[3-(methylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 255.39 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(methylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119431660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).