4-chloro-N,N-dimethyl-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1,3-thiazol-2-amine

C15H22ClN5S — CID 95206808

IUPAC4-chloro-N,N-dimethyl-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1,3-thiazol-2-amine
SMILESCN(C)c1nc(Cl)c(-c2nccn2CC[C@@H]2CCCN2C)s1
InChIInChI=1S/C15H22ClN5S/c1-19(2)15-18-13(16)12(22-15)14-17-7-10-21(14)9-6-11-5-4-8-20(11)3/h7,10-11H,4-6,8-9H2,1-3H3/t11-/m0/s1
InChIKeyQONBFNJQULUXCG-NSHDSACASA-N
MW339.90 g/mol
LogP3.21
Rot. Bonds5

About 4-chloro-N,N-dimethyl-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1,3-thiazol-2-amine

4-chloro-N,N-dimethyl-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1,3-thiazol-2-amine (PubChem CID 95206808) has the molecular formula C15H22ClN5S and a molecular weight of 339.90 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1,3-thiazol-2-amine
PubChem CID95206808
Molecular FormulaC15H22ClN5S
Molecular Weight339.90 g/mol
Exact Mass339.13
IUPAC Name4-chloro-N,N-dimethyl-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1,3-thiazol-2-amine
SMILESCN(C)c1nc(Cl)c(-c2nccn2CC[C@@H]2CCCN2C)s1
InChIInChI=1S/C15H22ClN5S/c1-19(2)15-18-13(16)12(22-15)14-17-7-10-21(14)9-6-11-5-4-8-20(11)3/h7,10-11H,4-6,8-9H2,1-3H3/t11-/m0/s1
InChIKeyQONBFNJQULUXCG-NSHDSACASA-N
XLogP3.21
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.90
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1H-benzimidazole
CID 95222460
2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]quinoline
CID 95209596
2-[2-(2-ethylimidazol-1-yl)ethyl]-1-methylpiperidine
CID 107914179
1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
CID 63388388
1-ethyl-2-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylsulfanyl]imidazole
CID 97327974
6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propylpyrimidin-4-amine
CID 79315133
1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
CID 106565238
5-methyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indole
CID 123227825
6-chloro-N,2,5-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 79314849
2-chloro-4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine
CID 62477621
2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine
CID 102824295
6-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 79309236

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N,N-dimethyl-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1,3-thiazol-2-amine (CID 95206808) is 4-chloro-N,N-dimethyl-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N,N-dimethyl-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N,N-dimethyl-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1,3-thiazol-2-amine is CN(C)c1nc(Cl)c(-c2nccn2CC[C@@H]2CCCN2C)s1.
What is the InChIKey of 4-chloro-N,N-dimethyl-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1,3-thiazol-2-amine?
The InChIKey is QONBFNJQULUXCG-NSHDSACASA-N. The full InChI is InChI=1S/C15H22ClN5S/c1-19(2)15-18-13(16)12(22-15)14-17-7-10-21(14)9-6-11-5-4-8-20(11)3/h7,10-11H,4-6,8-9H2,1-3H3/t11-/m0/s1.
What are the key properties of 4-chloro-N,N-dimethyl-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1,3-thiazol-2-amine?
4-chloro-N,N-dimethyl-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1,3-thiazol-2-amine has a molecular weight of 339.90 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-5-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 95206808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).