3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide;dihydrochloride

C12H21Cl2N3OS — CID 119890763

IUPAC3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCCC(NC(=O)C1(C)CCNC1)c1nccs1.Cl.Cl
InChIInChI=1S/C12H19N3OS.2ClH/c1-3-9(10-14-6-7-17-10)15-11(16)12(2)4-5-13-8-12;;/h6-7,9,13H,3-5,8H2,1-2H3,(H,15,16);2*1H
InChIKeyVNCIMNJYWVSWFP-UHFFFAOYSA-N
MW326.29 g/mol
LogP2.55
Rot. Bonds4

About 3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide;dihydrochloride

3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119890763) has the molecular formula C12H21Cl2N3OS and a molecular weight of 326.29 g/mol. Its IUPAC name is 3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119890763
Molecular FormulaC12H21Cl2N3OS
Molecular Weight326.29 g/mol
Exact Mass325.08
IUPAC Name3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCCC(NC(=O)C1(C)CCNC1)c1nccs1.Cl.Cl
InChIInChI=1S/C12H19N3OS.2ClH/c1-3-9(10-14-6-7-17-10)15-11(16)12(2)4-5-13-8-12;;/h6-7,9,13H,3-5,8H2,1-2H3,(H,15,16);2*1H
InChIKeyVNCIMNJYWVSWFP-UHFFFAOYSA-N
XLogP2.55
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide
CID 115437914
3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 63239936
1-(imidazol-1-ylmethyl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
CID 125447141
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(1,3-thiazol-2-yl)propyl]urea
CID 111506596
2-(cyclopropylmethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119890777
N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 115642007
(2S,4S)-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide;hydrochloride
CID 120637143
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 112701958
N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidin-3-amine
CID 79740776
3-methyl-N-(1-phenylbutyl)pyrrolidine-3-carboxamide
CID 63139520
2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 79384523
1-propan-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide
CID 72871127

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of 3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide;dihydrochloride (CID 119890763) is 3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for 3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide;dihydrochloride is CCC(NC(=O)C1(C)CCNC1)c1nccs1.Cl.Cl.
What is the InChIKey of 3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is VNCIMNJYWVSWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS.2ClH/c1-3-9(10-14-6-7-17-10)15-11(16)12(2)4-5-13-8-12;;/h6-7,9,13H,3-5,8H2,1-2H3,(H,15,16);2*1H.
What are the key properties of 3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide;dihydrochloride?
3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 326.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119890763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).