N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine

C14H21N3S2 — CID 55112581

IUPACN-methyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
SMILESCC(C)CNCc1cnc(N(C)Cc2ccsc2)s1
InChIInChI=1S/C14H21N3S2/c1-11(2)6-15-7-13-8-16-14(19-13)17(3)9-12-4-5-18-10-12/h4-5,8,10-11,15H,6-7,9H2,1-3H3
InChIKeyDBAISEZLHRSWPX-UHFFFAOYSA-N
MW295.48 g/mol
LogP3.59
Rot. Bonds7

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

N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 55112581) has the molecular formula C14H21N3S2 and a molecular weight of 295.48 g/mol. Its IUPAC name is N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
PubChem CID55112581
Molecular FormulaC14H21N3S2
Molecular Weight295.48 g/mol
Exact Mass295.12
IUPAC NameN-methyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
SMILESCC(C)CNCc1cnc(N(C)Cc2ccsc2)s1
InChIInChI=1S/C14H21N3S2/c1-11(2)6-15-7-13-8-16-14(19-13)17(3)9-12-4-5-18-10-12/h4-5,8,10-11,15H,6-7,9H2,1-3H3
InChIKeyDBAISEZLHRSWPX-UHFFFAOYSA-N
XLogP3.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine (CID 55112581) is N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine is CC(C)CNCc1cnc(N(C)Cc2ccsc2)s1.
What is the InChIKey of N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is DBAISEZLHRSWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S2/c1-11(2)6-15-7-13-8-16-14(19-13)17(3)9-12-4-5-18-10-12/h4-5,8,10-11,15H,6-7,9H2,1-3H3.
What are the key properties of N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine?
N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 295.48 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55112581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).