N,N-dimethyl-4-[[(2-methylcyclopentyl)amino]methyl]-1,3-thiazol-2-amine

C12H21N3S — CID 115689681

IUPACN,N-dimethyl-4-[[(2-methylcyclopentyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCC1CCCC1NCc1csc(N(C)C)n1
InChIInChI=1S/C12H21N3S/c1-9-5-4-6-11(9)13-7-10-8-16-12(14-10)15(2)3/h8-9,11,13H,4-7H2,1-3H3
InChIKeySCSLZQFBTUPLLP-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.49
Rot. Bonds4

About N,N-dimethyl-4-[[(2-methylcyclopentyl)amino]methyl]-1,3-thiazol-2-amine

N,N-dimethyl-4-[[(2-methylcyclopentyl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 115689681) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N,N-dimethyl-4-[[(2-methylcyclopentyl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[[(2-methylcyclopentyl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID115689681
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN,N-dimethyl-4-[[(2-methylcyclopentyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCC1CCCC1NCc1csc(N(C)C)n1
InChIInChI=1S/C12H21N3S/c1-9-5-4-6-11(9)13-7-10-8-16-12(14-10)15(2)3/h8-9,11,13H,4-7H2,1-3H3
InChIKeySCSLZQFBTUPLLP-UHFFFAOYSA-N
XLogP2.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[(2-methylcyclopentyl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-dimethyl-4-[[(2-methylcyclopentyl)amino]methyl]-1,3-thiazol-2-amine (CID 115689681) is N,N-dimethyl-4-[[(2-methylcyclopentyl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[[(2-methylcyclopentyl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-dimethyl-4-[[(2-methylcyclopentyl)amino]methyl]-1,3-thiazol-2-amine is CC1CCCC1NCc1csc(N(C)C)n1.
What is the InChIKey of N,N-dimethyl-4-[[(2-methylcyclopentyl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is SCSLZQFBTUPLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9-5-4-6-11(9)13-7-10-8-16-12(14-10)15(2)3/h8-9,11,13H,4-7H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[[(2-methylcyclopentyl)amino]methyl]-1,3-thiazol-2-amine?
N,N-dimethyl-4-[[(2-methylcyclopentyl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 239.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[(2-methylcyclopentyl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 115689681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).