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

C12H21N3S — CID 62752283

IUPACN-cyclopropyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCC(C)CNCc1cnc(N(C)C2CC2)s1
InChIInChI=1S/C12H21N3S/c1-9(2)6-13-7-11-8-14-12(16-11)15(3)10-4-5-10/h8-10,13H,4-7H2,1-3H3
InChIKeyXKKJKYCIQLEIQP-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.49
Rot. Bonds6

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

N-cyclopropyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 62752283) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
PubChem CID62752283
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-cyclopropyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCC(C)CNCc1cnc(N(C)C2CC2)s1
InChIInChI=1S/C12H21N3S/c1-9(2)6-13-7-11-8-14-12(16-11)15(3)10-4-5-10/h8-10,13H,4-7H2,1-3H3
InChIKeyXKKJKYCIQLEIQP-UHFFFAOYSA-N
XLogP2.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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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Related Compounds

N-(cyclopropylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 55112302
N-(cyclohexylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62752753
N-(cyclopropylmethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 62752929
N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine
CID 63706852
N-methyl-N-[(2-methylcyclopropyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 63864052
N-ethyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 55112531
N,N-dimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine
CID 63168205
N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine
CID 79489079
N-(1-ethylpiperidin-4-yl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62754452
N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 86691018
N-cyclopropyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62767601
N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 55112581

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopropyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine (CID 62752283) is N-cyclopropyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine is CC(C)CNCc1cnc(N(C)C2CC2)s1.
What is the InChIKey of N-cyclopropyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is XKKJKYCIQLEIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9(2)6-13-7-11-8-14-12(16-11)15(3)10-4-5-10/h8-10,13H,4-7H2,1-3H3.
What are the key properties of N-cyclopropyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
N-cyclopropyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 239.39 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62752283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).