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

C13H21N3OS — CID 119810828

IUPACN-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide
SMILESCc1nc(CC(C)C)c(NC(=O)C2CCNC2)s1
InChIInChI=1S/C13H21N3OS/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)
InChIKeyMZXVKTXLCVVVDR-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.20
Rot. Bonds4

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

N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide (PubChem CID 119810828) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide
PubChem CID119810828
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide
SMILESCc1nc(CC(C)C)c(NC(=O)C2CCNC2)s1
InChIInChI=1S/C13H21N3OS/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)
InChIKeyMZXVKTXLCVVVDR-UHFFFAOYSA-N
XLogP2.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide (CID 119810828) is N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide is Cc1nc(CC(C)C)c(NC(=O)C2CCNC2)s1.
What is the InChIKey of N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide?
The InChIKey is MZXVKTXLCVVVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/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).
What are the key properties of N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide?
N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.20, 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 is sourced from PubChem (CID 119810828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).