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

C12H14N2S2 — CID 63993604

IUPAC1-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine
SMILESCc1ccsc1-c1csc(C2(N)CCC2)n1
InChIInChI=1S/C12H14N2S2/c1-8-3-6-15-10(8)9-7-16-11(14-9)12(13)4-2-5-12/h3,6-7H,2,4-5,13H2,1H3
InChIKeyMVTXXNJYUKONAF-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.52
Rot. Bonds2

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

1-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine (PubChem CID 63993604) has the molecular formula C12H14N2S2 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine
PubChem CID63993604
Molecular FormulaC12H14N2S2
Molecular Weight250.39 g/mol
Exact Mass250.06
IUPAC Name1-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine
SMILESCc1ccsc1-c1csc(C2(N)CCC2)n1
InChIInChI=1S/C12H14N2S2/c1-8-3-6-15-10(8)9-7-16-11(14-9)12(13)4-2-5-12/h3,6-7H,2,4-5,13H2,1H3
InChIKeyMVTXXNJYUKONAF-UHFFFAOYSA-N
XLogP3.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Thienyl)-4-thiazolemethanamine
CID 2776321
2-(4-Phenyl-1,3-thiazol-2-yl)ethanethioamide
CID 724012
5-Methylsulfanyl-4-(4-methyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 9903519
5-Ethyl-4-(4-phenyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 10335742
5-Methyl-4-(4-phenyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 10424840
5-Methylsulfanyl-4-(4-thiophen-2-yl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 18536775
5-Methylsulfanyl-4-(4-o-tolyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 18536877
5-Methylsulfanyl-4-(4-p-tolyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 18536880
5-Methylsulfanyl-4-(4-phenyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 18536889
5-Methylsulfanyl-4-(4-m-tolyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 18537029
5-Methylsulfanyl-4-(2-phenyl-thiazol-4-yl)-thiophene-2-carboxamidine
CID 18537077
(2-Phenyl-1,3-thiazol-4-yl)methanamine
CID 736526

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine?
The IUPAC name of 1-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine (CID 63993604) is 1-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine is Cc1ccsc1-c1csc(C2(N)CCC2)n1.
What is the InChIKey of 1-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine?
The InChIKey is MVTXXNJYUKONAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S2/c1-8-3-6-15-10(8)9-7-16-11(14-9)12(13)4-2-5-12/h3,6-7H,2,4-5,13H2,1H3.
What are the key properties of 1-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine?
1-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 63993604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).