N,N-dimethyl-1-[2-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine

C14H21N5S — CID 124942827

IUPACN,N-dimethyl-1-[2-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine
SMILESCN(C)Cc1cnc([C@H]2CCN(Cc3cncs3)C2)[nH]1
InChIInChI=1S/C14H21N5S/c1-18(2)8-12-5-16-14(17-12)11-3-4-19(7-11)9-13-6-15-10-20-13/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyAYAOZFHTKARGNR-NSHDSACASA-N
MW291.42 g/mol
LogP1.92
Rot. Bonds5

About N,N-dimethyl-1-[2-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine

N,N-dimethyl-1-[2-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine (PubChem CID 124942827) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine
PubChem CID124942827
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC NameN,N-dimethyl-1-[2-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine
SMILESCN(C)Cc1cnc([C@H]2CCN(Cc3cncs3)C2)[nH]1
InChIInChI=1S/C14H21N5S/c1-18(2)8-12-5-16-14(17-12)11-3-4-19(7-11)9-13-6-15-10-20-13/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyAYAOZFHTKARGNR-NSHDSACASA-N
XLogP1.92
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-[2-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine
CID 124963578
5-[(3-pyrimidin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 141207736
N,N-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 141415838
5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 172891886
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 112644427
[3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 110117008
5-[[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125012821
5-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125014855
5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 125023271
N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 166600630
N,N-dimethyl-3-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110090980
1-[2-[4-(cyclohexylmethyl)morpholin-2-yl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine
CID 110117065

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[2-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine (CID 124942827) is N,N-dimethyl-1-[2-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[2-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[2-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine is CN(C)Cc1cnc([C@H]2CCN(Cc3cncs3)C2)[nH]1.
What is the InChIKey of N,N-dimethyl-1-[2-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine?
The InChIKey is AYAOZFHTKARGNR-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N5S/c1-18(2)8-12-5-16-14(17-12)11-3-4-19(7-11)9-13-6-15-10-20-13/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,16,17)/t11-/m0/s1.
What are the key properties of N,N-dimethyl-1-[2-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine?
N,N-dimethyl-1-[2-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine has a molecular weight of 291.42 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 124942827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).