2-(4-methyl-1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine

C12H16N2S2 — CID 115630862

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine
SMILESCc1csc(C(C)(C)NCc2cccs2)n1
InChIInChI=1S/C12H16N2S2/c1-9-8-16-11(14-9)12(2,3)13-7-10-5-4-6-15-10/h4-6,8,13H,7H2,1-3H3
InChIKeyVLIDPNTUTSGGRT-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.54
Rot. Bonds4

About 2-(4-methyl-1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine

2-(4-methyl-1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine (PubChem CID 115630862) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine
PubChem CID115630862
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine
SMILESCc1csc(C(C)(C)NCc2cccs2)n1
InChIInChI=1S/C12H16N2S2/c1-9-8-16-11(14-9)12(2,3)13-7-10-5-4-6-15-10/h4-6,8,13H,7H2,1-3H3
InChIKeyVLIDPNTUTSGGRT-UHFFFAOYSA-N
XLogP3.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 115630858
2-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine
CID 115630861
2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61001579
N-(3-methylsulfonylpropyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 71986796
2-(4-methyl-1,3-thiazol-2-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 75423305
2,4,4-trimethyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 4722843
N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 71869006
2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol chloride
CID 53347623
2-(1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylamino)propanoic acid
CID 64991037
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 63775483
2-(4-methyl-1,3-thiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine
CID 96519843
3-methyl-N-(thiophen-2-ylmethyl)quinoxalin-2-amine
CID 36590033

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine (CID 115630862) is 2-(4-methyl-1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine is Cc1csc(C(C)(C)NCc2cccs2)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine?
The InChIKey is VLIDPNTUTSGGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-9-8-16-11(14-9)12(2,3)13-7-10-5-4-6-15-10/h4-6,8,13H,7H2,1-3H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine?
2-(4-methyl-1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine has a molecular weight of 252.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 115630862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).