N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide

C14H21N3O2S — CID 111508030

IUPACN-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCc1cnc(C(NC(=O)N2CCC(CO)C2)C2CC2)s1
InChIInChI=1S/C14H21N3O2S/c1-9-6-15-13(20-9)12(11-2-3-11)16-14(19)17-5-4-10(7-17)8-18/h6,10-12,18H,2-5,7-8H2,1H3,(H,16,19)
InChIKeyRNZOKJPOQBJXGC-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.93
Rot. Bonds4

About N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide

N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 111508030) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID111508030
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCc1cnc(C(NC(=O)N2CCC(CO)C2)C2CC2)s1
InChIInChI=1S/C14H21N3O2S/c1-9-6-15-13(20-9)12(11-2-3-11)16-14(19)17-5-4-10(7-17)8-18/h6,10-12,18H,2-5,7-8H2,1H3,(H,16,19)
InChIKeyRNZOKJPOQBJXGC-UHFFFAOYSA-N
XLogP1.93
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 111508030) is N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide is Cc1cnc(C(NC(=O)N2CCC(CO)C2)C2CC2)s1.
What is the InChIKey of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is RNZOKJPOQBJXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-9-6-15-13(20-9)12(11-2-3-11)16-14(19)17-5-4-10(7-17)8-18/h6,10-12,18H,2-5,7-8H2,1H3,(H,16,19).
What are the key properties of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111508030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).