5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentanamide

C10H17N3OS — CID 106238769

IUPAC5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentanamide
SMILESCc1nc(NCCCCC(N)=O)sc1C
InChIInChI=1S/C10H17N3OS/c1-7-8(2)15-10(13-7)12-6-4-3-5-9(11)14/h3-6H2,1-2H3,(H2,11,14)(H,12,13)
InChIKeyFZCVEDVJTQQGLV-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.83
Rot. Bonds6

About 5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentanamide

5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentanamide (PubChem CID 106238769) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentanamide
PubChem CID106238769
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentanamide
SMILESCc1nc(NCCCCC(N)=O)sc1C
InChIInChI=1S/C10H17N3OS/c1-7-8(2)15-10(13-7)12-6-4-3-5-9(11)14/h3-6H2,1-2H3,(H2,11,14)(H,12,13)
InChIKeyFZCVEDVJTQQGLV-UHFFFAOYSA-N
XLogP1.83
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.83
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

N'-(4,5-dimethyl-1,3-thiazol-2-yl)hexane-1,6-diamine
CID 107844668
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl carbamate
CID 83204866
6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,4-dimethylhexanoic acid
CID 65284896
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanol
CID 65169269
4,5-dimethyl-N-(4-methylsulfanylbutyl)-1,3-thiazol-2-amine
CID 115691855
ethyl 5-acetyl-2-[(5-amino-5-oxopentyl)amino]-1,3-thiazole-4-carboxylate
CID 106241485
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 60642086
3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113254660
N-(3-cyclopropylpropyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 115691858
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine
CID 65169160
3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 112698599
5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentanamide
CID 106238655

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentanamide?
The IUPAC name of 5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentanamide (CID 106238769) is 5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentanamide.
What is the SMILES notation for 5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentanamide?
The canonical SMILES for 5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentanamide is Cc1nc(NCCCCC(N)=O)sc1C.
What is the InChIKey of 5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentanamide?
The InChIKey is FZCVEDVJTQQGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7-8(2)15-10(13-7)12-6-4-3-5-9(11)14/h3-6H2,1-2H3,(H2,11,14)(H,12,13).
What are the key properties of 5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentanamide?
5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentanamide has a molecular weight of 227.33 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentanamide is sourced from PubChem (CID 106238769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).