(4-methyl-1,3-thiazol-5-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone

C14H21N3OS — CID 54885904

IUPAC(4-methyl-1,3-thiazol-5-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESCc1ncsc1C(=O)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C14H21N3OS/c1-10-13(19-9-16-10)14(18)17-7-3-4-11(8-17)12-5-2-6-15-12/h9,11-12,15H,2-8H2,1H3
InChIKeyBBVVIANAJVJUFW-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.06
Rot. Bonds2

About (4-methyl-1,3-thiazol-5-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone

(4-methyl-1,3-thiazol-5-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 54885904) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID54885904
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name(4-methyl-1,3-thiazol-5-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESCc1ncsc1C(=O)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C14H21N3OS/c1-10-13(19-9-16-10)14(18)17-7-3-4-11(8-17)12-5-2-6-15-12/h9,11-12,15H,2-8H2,1H3
InChIKeyBBVVIANAJVJUFW-UHFFFAOYSA-N
XLogP2.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 54885904) is (4-methyl-1,3-thiazol-5-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone is Cc1ncsc1C(=O)N1CCCC(C2CCCN2)C1.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is BBVVIANAJVJUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-10-13(19-9-16-10)14(18)17-7-3-4-11(8-17)12-5-2-6-15-12/h9,11-12,15H,2-8H2,1H3.
What are the key properties of (4-methyl-1,3-thiazol-5-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
(4-methyl-1,3-thiazol-5-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 279.41 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 54885904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).