N,4-dimethyl-5-[(propan-2-ylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine

C15H28N4S — CID 63208807

IUPACN,4-dimethyl-5-[(propan-2-ylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine
SMILESCc1nc(N(C)CCN2CCCC2)sc1CNC(C)C
InChIInChI=1S/C15H28N4S/c1-12(2)16-11-14-13(3)17-15(20-14)18(4)9-10-19-7-5-6-8-19/h12,16H,5-11H2,1-4H3
InChIKeyMIBCFHOXPVYJEY-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.48
Rot. Bonds7

About N,4-dimethyl-5-[(propan-2-ylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine

N,4-dimethyl-5-[(propan-2-ylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine (PubChem CID 63208807) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is N,4-dimethyl-5-[(propan-2-ylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-[(propan-2-ylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine
PubChem CID63208807
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC NameN,4-dimethyl-5-[(propan-2-ylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine
SMILESCc1nc(N(C)CCN2CCCC2)sc1CNC(C)C
InChIInChI=1S/C15H28N4S/c1-12(2)16-11-14-13(3)17-15(20-14)18(4)9-10-19-7-5-6-8-19/h12,16H,5-11H2,1-4H3
InChIKeyMIBCFHOXPVYJEY-UHFFFAOYSA-N
XLogP2.48
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,4-dimethyl-5-[(propan-2-ylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)-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-(2-ethoxyethyl)-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 81068229
N,4-dimethyl-N-(oxan-4-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63706345
N,4-dimethyl-N-pentan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62768335
N,N-dimethyl-N'-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine
CID 62766864
5-(aminomethyl)-4-ethyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine
CID 55162652
N-[(3-fluorophenyl)methyl]-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62764340
N,4-dimethyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62767575
N-(2-methoxyethyl)-4-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 82965903
methyl 5-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-1,3-thiazole-4-carboxylate
CID 113307093
N-[[4-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82193773
N,4-dimethyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81067225
N'-[4-cyclopropyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63917430

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-[(propan-2-ylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine?
The IUPAC name of N,4-dimethyl-5-[(propan-2-ylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine (CID 63208807) is N,4-dimethyl-5-[(propan-2-ylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-dimethyl-5-[(propan-2-ylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N,4-dimethyl-5-[(propan-2-ylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine is Cc1nc(N(C)CCN2CCCC2)sc1CNC(C)C.
What is the InChIKey of N,4-dimethyl-5-[(propan-2-ylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine?
The InChIKey is MIBCFHOXPVYJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-12(2)16-11-14-13(3)17-15(20-14)18(4)9-10-19-7-5-6-8-19/h12,16H,5-11H2,1-4H3.
What are the key properties of N,4-dimethyl-5-[(propan-2-ylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine?
N,4-dimethyl-5-[(propan-2-ylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine has a molecular weight of 296.48 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-[(propan-2-ylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 63208807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).