N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine

C12H16N2S2 — CID 61224120

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCc1ncc(CNC(C)Cc2ccsc2)s1
InChIInChI=1S/C12H16N2S2/c1-9(5-11-3-4-15-8-11)13-6-12-7-14-10(2)16-12/h3-4,7-9,13H,5-6H2,1-2H3
InChIKeyGOROVRCGTWDEER-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.23
Rot. Bonds5

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine (PubChem CID 61224120) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine
PubChem CID61224120
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine
SMILESCc1ncc(CNC(C)Cc2ccsc2)s1
InChIInChI=1S/C12H16N2S2/c1-9(5-11-3-4-15-8-11)13-6-12-7-14-10(2)16-12/h3-4,7-9,13H,5-6H2,1-2H3
InChIKeyGOROVRCGTWDEER-UHFFFAOYSA-N
XLogP3.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 64539318
1-thiophen-3-yl-N-(thiophen-2-ylmethyl)propan-2-amine
CID 61222092
N-[(5-phenylthiophen-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 63453731
5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]thiophene-2-carbonitrile
CID 115675695
N-(1,2-oxazol-3-ylmethyl)-1-thiophen-3-ylpropan-2-amine
CID 115726363
N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61223934
N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-2-amine
CID 61281607
N-[(4-ethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61223007
N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-3-ylethanamine
CID 115895032
2,3-dichloro-N-(1-thiophen-3-ylpropan-2-yl)prop-2-en-1-amine
CID 79168411
6-methyl-N-(1-thiophen-3-ylpropan-2-yl)pyridin-3-amine
CID 115921558
N-(quinolin-8-ylmethyl)-1-thiophen-3-ylpropan-2-amine
CID 61222089

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine (CID 61224120) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine is Cc1ncc(CNC(C)Cc2ccsc2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine?
The InChIKey is GOROVRCGTWDEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-9(5-11-3-4-15-8-11)13-6-12-7-14-10(2)16-12/h3-4,7-9,13H,5-6H2,1-2H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine has a molecular weight of 252.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 61224120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).