3-methyl-3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]butan-1-amine

C13H18N2S2 — CID 116888474

IUPAC3-methyl-3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]butan-1-amine
SMILESCc1ccsc1-c1nc(C(C)(C)CCN)cs1
InChIInChI=1S/C13H18N2S2/c1-9-4-7-16-11(9)12-15-10(8-17-12)13(2,3)5-6-14/h4,7-8H,5-6,14H2,1-3H3
InChIKeyMALVEIWAYKRRGH-UHFFFAOYSA-N
MW266.44 g/mol
LogP3.81
Rot. Bonds4

About 3-methyl-3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]butan-1-amine

3-methyl-3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]butan-1-amine (PubChem CID 116888474) has the molecular formula C13H18N2S2 and a molecular weight of 266.44 g/mol. Its IUPAC name is 3-methyl-3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]butan-1-amine
PubChem CID116888474
Molecular FormulaC13H18N2S2
Molecular Weight266.44 g/mol
Exact Mass266.09
IUPAC Name3-methyl-3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]butan-1-amine
SMILESCc1ccsc1-c1nc(C(C)(C)CCN)cs1
InChIInChI=1S/C13H18N2S2/c1-9-4-7-16-11(9)12-15-10(8-17-12)13(2,3)5-6-14/h4,7-8H,5-6,14H2,1-3H3
InChIKeyMALVEIWAYKRRGH-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine
CID 61282401
3-methyl-3-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]butan-1-amine
CID 136988794
N-methyl-1-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine
CID 61280489
3-methyl-3-[2-(2-methylpropyl)-1,3-thiazol-4-yl]butan-1-amine
CID 116888443
2-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]acetonitrile
CID 116890031
2,6-bis(3-methylthiophen-2-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 146695728
3-(2-cyclopentyl-1,3-thiazol-4-yl)-3-methylbutan-1-amine
CID 116888466
2-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884531
2-(3-methylthiophen-2-yl)-4-piperazin-1-yl-1,3-thiazole
CID 116889895
3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103485281
N,4-dimethyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-amine
CID 116885891
4-tert-butyl-2-[3-[(4-chlorophenoxy)methyl]thiophen-2-yl]-1,3-thiazole
CID 2739627

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]butan-1-amine?
The IUPAC name of 3-methyl-3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]butan-1-amine (CID 116888474) is 3-methyl-3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]butan-1-amine?
The canonical SMILES for 3-methyl-3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]butan-1-amine is Cc1ccsc1-c1nc(C(C)(C)CCN)cs1.
What is the InChIKey of 3-methyl-3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]butan-1-amine?
The InChIKey is MALVEIWAYKRRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S2/c1-9-4-7-16-11(9)12-15-10(8-17-12)13(2,3)5-6-14/h4,7-8H,5-6,14H2,1-3H3.
What are the key properties of 3-methyl-3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]butan-1-amine?
3-methyl-3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]butan-1-amine has a molecular weight of 266.44 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]butan-1-amine is sourced from PubChem (CID 116888474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).