N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine

C20H22ClN5S — CID 16677048

IUPACN-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
SMILESCc1nc2sccn2c1CN(CCCn1ccnc1)Cc1ccccc1Cl
InChIInChI=1S/C20H22ClN5S/c1-16-19(26-11-12-27-20(26)23-16)14-25(9-4-8-24-10-7-22-15-24)13-17-5-2-3-6-18(17)21/h2-3,5-7,10-12,15H,4,8-9,13-14H2,1H3
InChIKeyNOSPBVPEYXNNSK-UHFFFAOYSA-N
MW399.95 g/mol
LogP4.65
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine

N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine (PubChem CID 16677048) has the molecular formula C20H22ClN5S and a molecular weight of 399.95 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
PubChem CID16677048
Molecular FormulaC20H22ClN5S
Molecular Weight399.95 g/mol
Exact Mass399.13
IUPAC NameN-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
SMILESCc1nc2sccn2c1CN(CCCn1ccnc1)Cc1ccccc1Cl
InChIInChI=1S/C20H22ClN5S/c1-16-19(26-11-12-27-20(26)23-16)14-25(9-4-8-24-10-7-22-15-24)13-17-5-2-3-6-18(17)21/h2-3,5-7,10-12,15H,4,8-9,13-14H2,1H3
InChIKeyNOSPBVPEYXNNSK-UHFFFAOYSA-N
XLogP4.65
TPSA38.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.95
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-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-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171671132
N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171671089
N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 16677797
1-(2-chlorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
CID 43779699
N-[(4-chloro-3-fluorophenyl)methyl]-3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]propan-1-amine
CID 16676966
3-imidazol-1-yl-N-(naphthalen-1-ylmethyl)-N-(naphthalen-2-ylmethyl)propan-1-amine
CID 22744894
1-[(2-chlorophenyl)methyl]-3-heptyl-1-(3-imidazol-1-ylpropyl)thiourea
CID 4319131
3-imidazol-1-yl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
CID 46986157
3-imidazol-1-yl-N-[(2-methoxyphenyl)methyl]-N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine
CID 46962062
2-(methoxymethyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43779784
2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyridin-3-amine
CID 43782424
5-[[(2-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)amino]methyl]-1,3-dimethylbenzimidazol-2-one
CID 46962084

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine (CID 16677048) is N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine is Cc1nc2sccn2c1CN(CCCn1ccnc1)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine?
The InChIKey is NOSPBVPEYXNNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5S/c1-16-19(26-11-12-27-20(26)23-16)14-25(9-4-8-24-10-7-22-15-24)13-17-5-2-3-6-18(17)21/h2-3,5-7,10-12,15H,4,8-9,13-14H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine?
N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine has a molecular weight of 399.95 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-imidazol-1-yl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 16677048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).