N-propyl-5-(thiophen-2-ylsulfanylmethyl)-1,3-thiazol-2-amine

C11H14N2S3 — CID 79775172

IUPACN-propyl-5-(thiophen-2-ylsulfanylmethyl)-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CSc2cccs2)s1
InChIInChI=1S/C11H14N2S3/c1-2-5-12-11-13-7-9(16-11)8-15-10-4-3-6-14-10/h3-4,6-7H,2,5,8H2,1H3,(H,12,13)
InChIKeyCUYKYRAJVKSPDP-UHFFFAOYSA-N
MW270.45 g/mol
LogP4.32
Rot. Bonds6

About N-propyl-5-(thiophen-2-ylsulfanylmethyl)-1,3-thiazol-2-amine

N-propyl-5-(thiophen-2-ylsulfanylmethyl)-1,3-thiazol-2-amine (PubChem CID 79775172) has the molecular formula C11H14N2S3 and a molecular weight of 270.45 g/mol. Its IUPAC name is N-propyl-5-(thiophen-2-ylsulfanylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-propyl-5-(thiophen-2-ylsulfanylmethyl)-1,3-thiazol-2-amine
PubChem CID79775172
Molecular FormulaC11H14N2S3
Molecular Weight270.45 g/mol
Exact Mass270.03
IUPAC NameN-propyl-5-(thiophen-2-ylsulfanylmethyl)-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CSc2cccs2)s1
InChIInChI=1S/C11H14N2S3/c1-2-5-12-11-13-7-9(16-11)8-15-10-4-3-6-14-10/h3-4,6-7H,2,5,8H2,1H3,(H,12,13)
InChIKeyCUYKYRAJVKSPDP-UHFFFAOYSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-chlorophenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
CID 79775075
5-[(4-tert-butylphenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
CID 79760535
5-[(3-chlorophenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
CID 79775087
N-propyl-5-(propylsulfanylmethyl)-1,3-thiazol-2-amine
CID 79774133
5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
CID 79774624
5-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62943674
5-[(1-methylpyrazol-4-yl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
CID 79775276
5-propyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 104599839
N-ethyl-5-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine
CID 79774235
N-methyl-5-[2-[2-(propylamino)-1,3-thiazol-5-yl]ethyl]-1,3-thiazol-2-amine
CID 79774348
6-methyl-1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]pyridin-2-one
CID 79774651
N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 79773840

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-(thiophen-2-ylsulfanylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-propyl-5-(thiophen-2-ylsulfanylmethyl)-1,3-thiazol-2-amine (CID 79775172) is N-propyl-5-(thiophen-2-ylsulfanylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-propyl-5-(thiophen-2-ylsulfanylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-propyl-5-(thiophen-2-ylsulfanylmethyl)-1,3-thiazol-2-amine is CCCNc1ncc(CSc2cccs2)s1.
What is the InChIKey of N-propyl-5-(thiophen-2-ylsulfanylmethyl)-1,3-thiazol-2-amine?
The InChIKey is CUYKYRAJVKSPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S3/c1-2-5-12-11-13-7-9(16-11)8-15-10-4-3-6-14-10/h3-4,6-7H,2,5,8H2,1H3,(H,12,13).
What are the key properties of N-propyl-5-(thiophen-2-ylsulfanylmethyl)-1,3-thiazol-2-amine?
N-propyl-5-(thiophen-2-ylsulfanylmethyl)-1,3-thiazol-2-amine has a molecular weight of 270.45 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-(thiophen-2-ylsulfanylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79775172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).