N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-thiophen-3-ylmethanamine

C13H18N2S2 — CID 50979921

IUPACN-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCC(C)c1nc(CN(C)Cc2ccsc2)cs1
InChIInChI=1S/C13H18N2S2/c1-10(2)13-14-12(9-17-13)7-15(3)6-11-4-5-16-8-11/h4-5,8-10H,6-7H2,1-3H3
InChIKeyLAVQUDBRLLJZMB-UHFFFAOYSA-N
MW266.44 g/mol
LogP3.96
Rot. Bonds5

About N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-thiophen-3-ylmethanamine

N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-thiophen-3-ylmethanamine (PubChem CID 50979921) has the molecular formula C13H18N2S2 and a molecular weight of 266.44 g/mol. Its IUPAC name is N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
PubChem CID50979921
Molecular FormulaC13H18N2S2
Molecular Weight266.44 g/mol
Exact Mass266.09
IUPAC NameN-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCC(C)c1nc(CN(C)Cc2ccsc2)cs1
InChIInChI=1S/C13H18N2S2/c1-10(2)13-14-12(9-17-13)7-15(3)6-11-4-5-16-8-11/h4-5,8-10H,6-7H2,1-3H3
InChIKeyLAVQUDBRLLJZMB-UHFFFAOYSA-N
XLogP3.96
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-thiophen-3-ylmethanamine (CID 50979921) is N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-thiophen-3-ylmethanamine is CC(C)c1nc(CN(C)Cc2ccsc2)cs1.
What is the InChIKey of N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is LAVQUDBRLLJZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S2/c1-10(2)13-14-12(9-17-13)7-15(3)6-11-4-5-16-8-11/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-thiophen-3-ylmethanamine has a molecular weight of 266.44 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 50979921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).