S-propyl N-(1,3-thiazol-4-yl)carbamothioate

C7H10N2OS2 — CID 130008086

IUPACS-propyl N-(1,3-thiazol-4-yl)carbamothioate
SMILESCCCSC(=O)Nc1cscn1
InChIInChI=1S/C7H10N2OS2/c1-2-3-12-7(10)9-6-4-11-5-8-6/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeyGPGWMMUQOKBDKD-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.82
Rot. Bonds3

About S-propyl N-(1,3-thiazol-4-yl)carbamothioate

S-propyl N-(1,3-thiazol-4-yl)carbamothioate (PubChem CID 130008086) has the molecular formula C7H10N2OS2 and a molecular weight of 202.30 g/mol. Its IUPAC name is S-propyl N-(1,3-thiazol-4-yl)carbamothioate.

Molecular Properties

Compound NameS-propyl N-(1,3-thiazol-4-yl)carbamothioate
PubChem CID130008086
Molecular FormulaC7H10N2OS2
Molecular Weight202.30 g/mol
Exact Mass202.02
IUPAC NameS-propyl N-(1,3-thiazol-4-yl)carbamothioate
SMILESCCCSC(=O)Nc1cscn1
InChIInChI=1S/C7H10N2OS2/c1-2-3-12-7(10)9-6-4-11-5-8-6/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeyGPGWMMUQOKBDKD-UHFFFAOYSA-N
XLogP2.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-(1,3-thiazol-4-yl)propanamide
CID 146397984
N-(1,3-thiazol-4-yl)prop-2-ynamide
CID 45121900
ethane;prop-2-enyl N-(1,3-thiazol-4-yl)carbamate
CID 91362137
2-(1,3-thiazol-4-ylamino)ethanol
CID 54482134
N-(1,3-thiazol-4-yl)methanesulfonamide
CID 135331205
N-(2-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 62046507
N-pentyl-1,3-thiazole-4-carboxamide
CID 62045475
N-butyl-1,3-thiazole-4-carboxamide;ethane
CID 176555037
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 110462181
N-ethyl-2-(1,3-thiazol-4-yl)acetamide
CID 110462780
propyl 1,3-thiazole-4-carboxylate
CID 62038839
1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea
CID 49483238

Frequently Asked Questions

What is the IUPAC name of S-propyl N-(1,3-thiazol-4-yl)carbamothioate?
The IUPAC name of S-propyl N-(1,3-thiazol-4-yl)carbamothioate (CID 130008086) is S-propyl N-(1,3-thiazol-4-yl)carbamothioate.
What is the SMILES notation for S-propyl N-(1,3-thiazol-4-yl)carbamothioate?
The canonical SMILES for S-propyl N-(1,3-thiazol-4-yl)carbamothioate is CCCSC(=O)Nc1cscn1.
What is the InChIKey of S-propyl N-(1,3-thiazol-4-yl)carbamothioate?
The InChIKey is GPGWMMUQOKBDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS2/c1-2-3-12-7(10)9-6-4-11-5-8-6/h4-5H,2-3H2,1H3,(H,9,10).
What are the key properties of S-propyl N-(1,3-thiazol-4-yl)carbamothioate?
S-propyl N-(1,3-thiazol-4-yl)carbamothioate has a molecular weight of 202.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-propyl N-(1,3-thiazol-4-yl)carbamothioate is sourced from PubChem (CID 130008086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).