1,3-thiazol-2-ylcyanamide

C4H3N3S — CID 13033270

IUPAC1,3-thiazol-2-ylcyanamide
SMILESN#CNc1nccs1
InChIInChI=1S/C4H3N3S/c5-3-7-4-6-1-2-8-4/h1-2H,(H,6,7)
InChIKeyABXAUSJQJHBSKN-UHFFFAOYSA-N
MW125.16 g/mol
LogP1.04
Rot. Bonds1

About 1,3-thiazol-2-ylcyanamide

1,3-thiazol-2-ylcyanamide (PubChem CID 13033270) has the molecular formula C4H3N3S and a molecular weight of 125.16 g/mol. Its IUPAC name is 1,3-thiazol-2-ylcyanamide.

Molecular Properties

Compound Name1,3-thiazol-2-ylcyanamide
PubChem CID13033270
Molecular FormulaC4H3N3S
Molecular Weight125.16 g/mol
Exact Mass125.00
IUPAC Name1,3-thiazol-2-ylcyanamide
SMILESN#CNc1nccs1
InChIInChI=1S/C4H3N3S/c5-3-7-4-6-1-2-8-4/h1-2H,(H,6,7)
InChIKeyABXAUSJQJHBSKN-UHFFFAOYSA-N
XLogP1.04
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.16
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-Aminothiazole
CID 2155
2-Acetamidothiazole
CID 17625
[(2-Amino-1,3-thiazol-5-yl)sulfanyl]formonitrile
CID 3109677
3-Ethyl-1-(1,3-thiazol-2-yl)urea
CID 2382314
N,N-diethylethanamine;1,3-thiazol-2-ylcarbamodithioic acid
CID 12657202
N-Methyl-N'-1,3-thiazol-2-ylurea
CID 326069
2-((1,3-Thiazol-2-ylamino)methylene)malononitrile
CID 2800869
N-methyl-1,3-thiazol-2-amine
CID 11959081
2-Azido-1,3-thiazole
CID 12188410
Urea, 1-methyl-3-(2-thiazolyl)-2-thio-
CID 3037328
2-Thiazolamine, nitrate (1:1)
CID 93701
Formamide, N-2-thiazolyl-
CID 3736156

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-2-ylcyanamide?
The IUPAC name of 1,3-thiazol-2-ylcyanamide (CID 13033270) is 1,3-thiazol-2-ylcyanamide.
What is the SMILES notation for 1,3-thiazol-2-ylcyanamide?
The canonical SMILES for 1,3-thiazol-2-ylcyanamide is N#CNc1nccs1.
What is the InChIKey of 1,3-thiazol-2-ylcyanamide?
The InChIKey is ABXAUSJQJHBSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3S/c5-3-7-4-6-1-2-8-4/h1-2H,(H,6,7).
What are the key properties of 1,3-thiazol-2-ylcyanamide?
1,3-thiazol-2-ylcyanamide has a molecular weight of 125.16 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-2-ylcyanamide is sourced from PubChem (CID 13033270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).