1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylmethanamine

C12H14N2S2 — CID 60713993

IUPAC1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylmethanamine
SMILESc1csc(C(NCc2cscn2)C2CC2)c1
InChIInChI=1S/C12H14N2S2/c1-2-11(16-5-1)12(9-3-4-9)13-6-10-7-15-8-14-10/h1-2,5,7-9,12-13H,3-4,6H2
InChIKeyCWABJGLHPZZQST-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.45
Rot. Bonds5

About 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylmethanamine

1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylmethanamine (PubChem CID 60713993) has the molecular formula C12H14N2S2 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylmethanamine
PubChem CID60713993
Molecular FormulaC12H14N2S2
Molecular Weight250.39 g/mol
Exact Mass250.06
IUPAC Name1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylmethanamine
SMILESc1csc(C(NCc2cscn2)C2CC2)c1
InChIInChI=1S/C12H14N2S2/c1-2-11(16-5-1)12(9-3-4-9)13-6-10-7-15-8-14-10/h1-2,5,7-9,12-13H,3-4,6H2
InChIKeyCWABJGLHPZZQST-UHFFFAOYSA-N
XLogP3.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine
CID 60696751
1-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62847543
1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60696131
1-cyclopentyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 61016899
1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 64918858
4-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]benzoic acid
CID 122030123
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740592
N-[cyclopropyl(thiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104584966
N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-thiophen-2-ylmethanamine
CID 60707258
1-cyclopentyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103898804
N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutan-2-amine
CID 115715034

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylmethanamine (CID 60713993) is 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylmethanamine is c1csc(C(NCc2cscn2)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylmethanamine?
The InChIKey is CWABJGLHPZZQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S2/c1-2-11(16-5-1)12(9-3-4-9)13-6-10-7-15-8-14-10/h1-2,5,7-9,12-13H,3-4,6H2.
What are the key properties of 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylmethanamine?
1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylmethanamine has a molecular weight of 250.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 60713993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).