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

C13H23N3S — CID 55112302

IUPACN-(cyclopropylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCC(C)CNCc1cnc(N(C)CC2CC2)s1
InChIInChI=1S/C13H23N3S/c1-10(2)6-14-7-12-8-15-13(17-12)16(3)9-11-4-5-11/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyMNPBBEHLNGIOQO-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.73
Rot. Bonds7

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

N-(cyclopropylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 55112302) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
PubChem CID55112302
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-(cyclopropylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCC(C)CNCc1cnc(N(C)CC2CC2)s1
InChIInChI=1S/C13H23N3S/c1-10(2)6-14-7-12-8-15-13(17-12)16(3)9-11-4-5-11/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyMNPBBEHLNGIOQO-UHFFFAOYSA-N
XLogP2.73
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(cyclopropylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclohexylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62752753
N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine
CID 63706852
N-(cyclopropylmethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 62752929
N-methyl-N-[(2-methylcyclopropyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 63864052
N-cyclopropyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62752283
N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 55112581
N-ethyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 55112531
5-[(2-cyclopropylethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 115656457
N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-pentan-3-yl-1,3-thiazol-2-amine
CID 79489079
N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 86691018
N-(cyclopentylmethyl)-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 63655931
N,N-dimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine
CID 63168205

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine (CID 55112302) is N-(cyclopropylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine is CC(C)CNCc1cnc(N(C)CC2CC2)s1.
What is the InChIKey of N-(cyclopropylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is MNPBBEHLNGIOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-10(2)6-14-7-12-8-15-13(17-12)16(3)9-11-4-5-11/h8,10-11,14H,4-7,9H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
N-(cyclopropylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 253.41 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 55112302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).