N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride

C13H23Cl2N3OS — CID 119878911

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCC(C)(C)c1csc(CNC(=O)C2CCNC2)n1.Cl.Cl
InChIInChI=1S/C13H21N3OS.2ClH/c1-13(2,3)10-8-18-11(16-10)7-15-12(17)9-4-5-14-6-9;;/h8-9,14H,4-7H2,1-3H3,(H,15,17);2*1H
InChIKeyUMSSQEFADDWMJP-UHFFFAOYSA-N
MW340.32 g/mol
LogP2.51
Rot. Bonds3

About N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119878911) has the molecular formula C13H23Cl2N3OS and a molecular weight of 340.32 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119878911
Molecular FormulaC13H23Cl2N3OS
Molecular Weight340.32 g/mol
Exact Mass339.09
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCC(C)(C)c1csc(CNC(=O)C2CCNC2)n1.Cl.Cl
InChIInChI=1S/C13H21N3OS.2ClH/c1-13(2,3)10-8-18-11(16-10)7-15-12(17)9-4-5-14-6-9;;/h8-9,14H,4-7H2,1-3H3,(H,15,17);2*1H
InChIKeyUMSSQEFADDWMJP-UHFFFAOYSA-N
XLogP2.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 119793176
N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119897431
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 126792438
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-piperidin-4-ylethanone
CID 116547629
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119839235
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119878891
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 61044449
(2S,4S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124681675
(3S)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94916816
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
CID 114451769
(4R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide
CID 125170845
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
CID 118766364

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride (CID 119878911) is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride is CC(C)(C)c1csc(CNC(=O)C2CCNC2)n1.Cl.Cl.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is UMSSQEFADDWMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS.2ClH/c1-13(2,3)10-8-18-11(16-10)7-15-12(17)9-4-5-14-6-9;;/h8-9,14H,4-7H2,1-3H3,(H,15,17);2*1H.
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride?
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 340.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119878911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).