1-prop-1-en-2-yl-3-(1,3-thiazol-2-yl)thiourea

C7H9N3S2 — CID 2312980

IUPAC1-prop-1-en-2-yl-3-(1,3-thiazol-2-yl)thiourea
SMILESC=C(C)NC(=S)Nc1nccs1
InChIInChI=1S/C7H9N3S2/c1-5(2)9-6(11)10-7-8-3-4-12-7/h3-4H,1H2,2H3,(H2,8,9,10,11)
InChIKeyNLZMKRBUYXQIJY-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.96
Rot. Bonds2

About 1-prop-1-en-2-yl-3-(1,3-thiazol-2-yl)thiourea

1-prop-1-en-2-yl-3-(1,3-thiazol-2-yl)thiourea (PubChem CID 2312980) has the molecular formula C7H9N3S2 and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-prop-1-en-2-yl-3-(1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name1-prop-1-en-2-yl-3-(1,3-thiazol-2-yl)thiourea
PubChem CID2312980
Molecular FormulaC7H9N3S2
Molecular Weight199.30 g/mol
Exact Mass199.02
IUPAC Name1-prop-1-en-2-yl-3-(1,3-thiazol-2-yl)thiourea
SMILESC=C(C)NC(=S)Nc1nccs1
InChIInChI=1S/C7H9N3S2/c1-5(2)9-6(11)10-7-8-3-4-12-7/h3-4H,1H2,2H3,(H2,8,9,10,11)
InChIKeyNLZMKRBUYXQIJY-UHFFFAOYSA-N
XLogP1.96
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Aminothiazole
CID 2155
3-Ethyl-1-(1,3-thiazol-2-yl)urea
CID 2382314
1-Propyl-3-(1,3-thiazol-2-yl)urea
CID 2130249
N,N-diethylethanamine;1,3-thiazol-2-ylcarbamodithioic acid
CID 12657202
N-methyl-1,3-thiazol-2-amine
CID 11959081
Guanidine, N-(1,1-dimethylethyl)-N',N''-bis(2-thiazolyl)-
CID 3055125
Urea, 1-methyl-3-(2-thiazolyl)-2-thio-
CID 3037328
N-propyl-1,3-thiazol-2-amine
CID 12707503
N-Ethyl-1,3-thiazol-2-amine
CID 13699275
N-cyclopropyl-1,3-thiazol-2-amine
CID 28517512
N,N'-Di-2-thiazolylethylenediamine
CID 100047
1,3-Thiazol-2-ylthiourea
CID 2771008

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-yl-3-(1,3-thiazol-2-yl)thiourea?
The IUPAC name of 1-prop-1-en-2-yl-3-(1,3-thiazol-2-yl)thiourea (CID 2312980) is 1-prop-1-en-2-yl-3-(1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for 1-prop-1-en-2-yl-3-(1,3-thiazol-2-yl)thiourea?
The canonical SMILES for 1-prop-1-en-2-yl-3-(1,3-thiazol-2-yl)thiourea is C=C(C)NC(=S)Nc1nccs1.
What is the InChIKey of 1-prop-1-en-2-yl-3-(1,3-thiazol-2-yl)thiourea?
The InChIKey is NLZMKRBUYXQIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S2/c1-5(2)9-6(11)10-7-8-3-4-12-7/h3-4H,1H2,2H3,(H2,8,9,10,11).
What are the key properties of 1-prop-1-en-2-yl-3-(1,3-thiazol-2-yl)thiourea?
1-prop-1-en-2-yl-3-(1,3-thiazol-2-yl)thiourea has a molecular weight of 199.30 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-yl-3-(1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 2312980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).