N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide

C17H21N3OS — CID 100664633

IUPACN-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide
SMILESCc1ccccc1-c1cnc(NC(=O)CC[C@@H]2CCCN2)s1
InChIInChI=1S/C17H21N3OS/c1-12-5-2-3-7-14(12)15-11-19-17(22-15)20-16(21)9-8-13-6-4-10-18-13/h2-3,5,7,11,13,18H,4,6,8-10H2,1H3,(H,19,20,21)/t13-/m0/s1
InChIKeyMYCDKZRZCBVEJG-ZDUSSCGKSA-N
MW315.44 g/mol
LogP3.59
Rot. Bonds5

About N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide

N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide (PubChem CID 100664633) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide
PubChem CID100664633
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide
SMILESCc1ccccc1-c1cnc(NC(=O)CC[C@@H]2CCCN2)s1
InChIInChI=1S/C17H21N3OS/c1-12-5-2-3-7-14(12)15-11-19-17(22-15)20-16(21)9-8-13-6-4-10-18-13/h2-3,5,7,11,13,18H,4,6,8-10H2,1H3,(H,19,20,21)/t13-/m0/s1
InChIKeyMYCDKZRZCBVEJG-ZDUSSCGKSA-N
XLogP3.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-6-carboxamide
CID 167769093
N-(4-ethyl-1H-pyrazol-5-yl)-3-piperidin-2-ylpropanamide
CID 104619290
N-(3-fluoro-4-methylphenyl)-3-piperidin-2-ylpropanamide
CID 62212237
5-(2-methylphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61363930
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide
CID 119676880
1-(2-methylphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563692
2-(3-piperidin-2-ylpropanoylamino)benzamide
CID 62210500
N-(5-methyl-1,2-oxazol-3-yl)-3-piperidin-2-ylpropanamide
CID 62212570
3-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 62210273
N-(6-methylsulfonyl-3-pyridinyl)-3-piperidin-2-ylpropanamide
CID 62212616
N-(2,4-dimethyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide
CID 112741904
N-(2,6-dibromophenyl)-3-piperidin-2-ylpropanamide
CID 107599604

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide?
The IUPAC name of N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide (CID 100664633) is N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide.
What is the SMILES notation for N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide?
The canonical SMILES for N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide is Cc1ccccc1-c1cnc(NC(=O)CC[C@@H]2CCCN2)s1.
What is the InChIKey of N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide?
The InChIKey is MYCDKZRZCBVEJG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-12-5-2-3-7-14(12)15-11-19-17(22-15)20-16(21)9-8-13-6-4-10-18-13/h2-3,5,7,11,13,18H,4,6,8-10H2,1H3,(H,19,20,21)/t13-/m0/s1.
What are the key properties of N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide?
N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide has a molecular weight of 315.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-3-[(2S)-pyrrolidin-2-yl]propanamide is sourced from PubChem (CID 100664633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).