3-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)pentan-3-amine

C13H18N2S2 — CID 61334911

IUPAC3-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)pentan-3-amine
SMILESCCC(N)(CC)c1nc(-c2cccs2)c(C)s1
InChIInChI=1S/C13H18N2S2/c1-4-13(14,5-2)12-15-11(9(3)17-12)10-7-6-8-16-10/h6-8H,4-5,14H2,1-3H3
InChIKeyVOVCKMQCLLPRJD-UHFFFAOYSA-N
MW266.44 g/mol
LogP4.15
Rot. Bonds4

About 3-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)pentan-3-amine

3-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)pentan-3-amine (PubChem CID 61334911) has the molecular formula C13H18N2S2 and a molecular weight of 266.44 g/mol. Its IUPAC name is 3-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)pentan-3-amine.

Molecular Properties

Compound Name3-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)pentan-3-amine
PubChem CID61334911
Molecular FormulaC13H18N2S2
Molecular Weight266.44 g/mol
Exact Mass266.09
IUPAC Name3-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)pentan-3-amine
SMILESCCC(N)(CC)c1nc(-c2cccs2)c(C)s1
InChIInChI=1S/C13H18N2S2/c1-4-13(14,5-2)12-15-11(9(3)17-12)10-7-6-8-16-10/h6-8H,4-5,14H2,1-3H3
InChIKeyVOVCKMQCLLPRJD-UHFFFAOYSA-N
XLogP4.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propyl]aniline
CID 82163452
ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 61385398
N-methyl-2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 104513339
N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 861899
1-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61335106
methyl 2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetate
CID 61334161
5-ethyl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 46736490
5-methyl-2-(1-piperazin-1-ylbutyl)-4-thiophen-2-yl-1,3-thiazole
CID 63342178
2-(3-bromophenyl)-5-methyl-4-thiophen-2-yl-1,3-thiazole
CID 79831085
1-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile
CID 116865584
2-(2-propyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanamine
CID 82069570
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)pentan-3-amine?
The IUPAC name of 3-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)pentan-3-amine (CID 61334911) is 3-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)pentan-3-amine.
What is the SMILES notation for 3-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)pentan-3-amine?
The canonical SMILES for 3-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)pentan-3-amine is CCC(N)(CC)c1nc(-c2cccs2)c(C)s1.
What is the InChIKey of 3-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)pentan-3-amine?
The InChIKey is VOVCKMQCLLPRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S2/c1-4-13(14,5-2)12-15-11(9(3)17-12)10-7-6-8-16-10/h6-8H,4-5,14H2,1-3H3.
What are the key properties of 3-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)pentan-3-amine?
3-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)pentan-3-amine has a molecular weight of 266.44 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)pentan-3-amine is sourced from PubChem (CID 61334911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).