N-propan-2-yl-N-prop-2-enyl-1,3-thiazolidine-4-carboxamide

C10H18N2OS — CID 60946757

IUPACN-propan-2-yl-N-prop-2-enyl-1,3-thiazolidine-4-carboxamide
SMILESC=CCN(C(=O)C1CSCN1)C(C)C
InChIInChI=1S/C10H18N2OS/c1-4-5-12(8(2)3)10(13)9-6-14-7-11-9/h4,8-9,11H,1,5-7H2,2-3H3
InChIKeyDXZQGPHKGVJLAV-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.07
Rot. Bonds4

About N-propan-2-yl-N-prop-2-enyl-1,3-thiazolidine-4-carboxamide

N-propan-2-yl-N-prop-2-enyl-1,3-thiazolidine-4-carboxamide (PubChem CID 60946757) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-propan-2-yl-N-prop-2-enyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-N-prop-2-enyl-1,3-thiazolidine-4-carboxamide
PubChem CID60946757
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-propan-2-yl-N-prop-2-enyl-1,3-thiazolidine-4-carboxamide
SMILESC=CCN(C(=O)C1CSCN1)C(C)C
InChIInChI=1S/C10H18N2OS/c1-4-5-12(8(2)3)10(13)9-6-14-7-11-9/h4,8-9,11H,1,5-7H2,2-3H3
InChIKeyDXZQGPHKGVJLAV-UHFFFAOYSA-N
XLogP1.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-prop-2-enyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-propan-2-yl-N-prop-2-enyl-1,3-thiazolidine-4-carboxamide (CID 60946757) is N-propan-2-yl-N-prop-2-enyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-N-prop-2-enyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-propan-2-yl-N-prop-2-enyl-1,3-thiazolidine-4-carboxamide is C=CCN(C(=O)C1CSCN1)C(C)C.
What is the InChIKey of N-propan-2-yl-N-prop-2-enyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is DXZQGPHKGVJLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-4-5-12(8(2)3)10(13)9-6-14-7-11-9/h4,8-9,11H,1,5-7H2,2-3H3.
What are the key properties of N-propan-2-yl-N-prop-2-enyl-1,3-thiazolidine-4-carboxamide?
N-propan-2-yl-N-prop-2-enyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 214.33 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-prop-2-enyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 60946757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).