N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide;hydrochloride

C13H22ClN3OS — CID 119810827

IUPACN-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1nc(CC(C)C)c(NC(=O)C2CCNC2)s1.Cl
InChIInChI=1S/C13H21N3OS.ClH/c1-8(2)6-11-13(18-9(3)15-11)16-12(17)10-4-5-14-7-10;/h8,10,14H,4-7H2,1-3H3,(H,16,17);1H
InChIKeyJZUDCXYNTFXSOF-UHFFFAOYSA-N
MW303.86 g/mol
LogP2.62
Rot. Bonds4

About N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide;hydrochloride

N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119810827) has the molecular formula C13H22ClN3OS and a molecular weight of 303.86 g/mol. Its IUPAC name is N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119810827
Molecular FormulaC13H22ClN3OS
Molecular Weight303.86 g/mol
Exact Mass303.12
IUPAC NameN-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCc1nc(CC(C)C)c(NC(=O)C2CCNC2)s1.Cl
InChIInChI=1S/C13H21N3OS.ClH/c1-8(2)6-11-13(18-9(3)15-11)16-12(17)10-4-5-14-7-10;/h8,10,14H,4-7H2,1-3H3,(H,16,17);1H
InChIKeyJZUDCXYNTFXSOF-UHFFFAOYSA-N
XLogP2.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.86
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]cyclopentane-1-carboxamide
CID 119810798
2-methyl-N-(3-methylpiperidin-4-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 120556242
(3S)-N-(2-methylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130617113
(3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 94916867
N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide
CID 63005264
4-amino-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]butanamide
CID 119339125
N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119774699
2-(2-aminoethyl)-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120637239
N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119897431
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 119886508
N-(3-hydroxy-2-methylpropyl)pyrrolidine-3-carboxamide
CID 65036211
(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130617096

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide;hydrochloride (CID 119810827) is N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide;hydrochloride is Cc1nc(CC(C)C)c(NC(=O)C2CCNC2)s1.Cl.
What is the InChIKey of N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is JZUDCXYNTFXSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS.ClH/c1-8(2)6-11-13(18-9(3)15-11)16-12(17)10-4-5-14-7-10;/h8,10,14H,4-7H2,1-3H3,(H,16,17);1H.
What are the key properties of N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide;hydrochloride?
N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 303.86 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119810827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).