N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutan-2-amine

C12H16N2S2 — CID 115715034

IUPACN-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutan-2-amine
SMILESCCC(Cc1cccs1)NCc1cscn1
InChIInChI=1S/C12H16N2S2/c1-2-10(6-12-4-3-5-16-12)13-7-11-8-15-9-14-11/h3-5,8-10,13H,2,6-7H2,1H3
InChIKeyMSCUCPLUFYLBCZ-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.32
Rot. Bonds6

About N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutan-2-amine

N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutan-2-amine (PubChem CID 115715034) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutan-2-amine
PubChem CID115715034
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC NameN-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutan-2-amine
SMILESCCC(Cc1cccs1)NCc1cscn1
InChIInChI=1S/C12H16N2S2/c1-2-10(6-12-4-3-5-16-12)13-7-11-8-15-9-14-11/h3-5,8-10,13H,2,6-7H2,1H3
InChIKeyMSCUCPLUFYLBCZ-UHFFFAOYSA-N
XLogP3.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.32
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
N-(1,3-thiazol-4-ylmethyl)-3-thiophen-2-ylpropan-1-amine
CID 115883663
2-(1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 63829370
1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylmethanamine
CID 60713993
3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propan-1-ol
CID 63261586
N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 63831315
N-(thiolan-2-ylmethyl)-1-thiophen-2-ylbutan-2-amine
CID 115727693
(2R)-1-methoxy-N-(thiophen-2-ylmethyl)butan-2-amine
CID 95366277
2-[(5-methyl-1H-pyrazol-3-yl)methylamino]-3-thiophen-2-ylpropan-1-ol
CID 146104711
(1R)-1-(furan-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81401203
1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 64918858
1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 60696428

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutan-2-amine?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutan-2-amine (CID 115715034) is N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutan-2-amine?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutan-2-amine is CCC(Cc1cccs1)NCc1cscn1.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutan-2-amine?
The InChIKey is MSCUCPLUFYLBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-2-10(6-12-4-3-5-16-12)13-7-11-8-15-9-14-11/h3-5,8-10,13H,2,6-7H2,1H3.
What are the key properties of N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutan-2-amine?
N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutan-2-amine has a molecular weight of 252.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 115715034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).