N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(propylaminomethyl)-1,3-thiazol-2-amine

C16H30N4S — CID 63234496

IUPACN,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)CC2CCN(C)CC2)nc1C
InChIInChI=1S/C16H30N4S/c1-5-8-17-11-15-13(2)18-16(21-15)20(4)12-14-6-9-19(3)10-7-14/h14,17H,5-12H2,1-4H3
InChIKeyNDKXAUBMGAYXQU-UHFFFAOYSA-N
MW310.51 g/mol
LogP2.73
Rot. Bonds7

About N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(propylaminomethyl)-1,3-thiazol-2-amine

N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(propylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 63234496) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(propylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(propylaminomethyl)-1,3-thiazol-2-amine
PubChem CID63234496
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC NameN,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)CC2CCN(C)CC2)nc1C
InChIInChI=1S/C16H30N4S/c1-5-8-17-11-15-13(2)18-16(21-15)20(4)12-14-6-9-19(3)10-7-14/h14,17H,5-12H2,1-4H3
InChIKeyNDKXAUBMGAYXQU-UHFFFAOYSA-N
XLogP2.73
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(propylaminomethyl)-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-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 63655525
5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 55117655
N-cyclohexyl-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62764625
5-(aminomethyl)-4-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
CID 63234453
N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62764465
5-(aminomethyl)-N-(cyclopropylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 62766977
5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
CID 107510374
N,4-dimethyl-N-(oxan-4-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63706345
4-ethyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62768705
N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62766999
N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62767191
N,4-dimethyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 55117328

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(propylaminomethyl)-1,3-thiazol-2-amine (CID 63234496) is N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(propylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(propylaminomethyl)-1,3-thiazol-2-amine is CCCNCc1sc(N(C)CC2CCN(C)CC2)nc1C.
What is the InChIKey of N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is NDKXAUBMGAYXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-5-8-17-11-15-13(2)18-16(21-15)20(4)12-14-6-9-19(3)10-7-14/h14,17H,5-12H2,1-4H3.
What are the key properties of N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(propylaminomethyl)-1,3-thiazol-2-amine?
N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(propylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 310.51 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(propylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 63234496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).