1,3-diamino-1-(1,3-thiazol-2-yl)urea

C4H7N5OS — CID 90009382

IUPAC1,3-diamino-1-(1,3-thiazol-2-yl)urea
SMILESNNC(=O)N(N)c1nccs1
InChIInChI=1S/C4H7N5OS/c5-8-3(10)9(6)4-7-1-2-11-4/h1-2H,5-6H2,(H,8,10)
InChIKeyHOAIMEWAMYNEIH-UHFFFAOYSA-N
MW173.20 g/mol
LogP-0.59
Rot. Bonds1

About 1,3-diamino-1-(1,3-thiazol-2-yl)urea

1,3-diamino-1-(1,3-thiazol-2-yl)urea (PubChem CID 90009382) has the molecular formula C4H7N5OS and a molecular weight of 173.20 g/mol. Its IUPAC name is 1,3-diamino-1-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1,3-diamino-1-(1,3-thiazol-2-yl)urea
PubChem CID90009382
Molecular FormulaC4H7N5OS
Molecular Weight173.20 g/mol
Exact Mass173.04
IUPAC Name1,3-diamino-1-(1,3-thiazol-2-yl)urea
SMILESNNC(=O)N(N)c1nccs1
InChIInChI=1S/C4H7N5OS/c5-8-3(10)9(6)4-7-1-2-11-4/h1-2H,5-6H2,(H,8,10)
InChIKeyHOAIMEWAMYNEIH-UHFFFAOYSA-N
XLogP-0.59
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-amino-N-(1,3-thiazol-2-yl)carbamate
CID 175372903
1,3-diamino-1-(1,3-thiazol-4-yl)urea
CID 174515727
2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 62638118
N-methyl-N-(1,3-thiazol-2-yl)carbamoyl chloride
CID 119090287
1-ethyl-1,3-bis(1,3-thiazol-2-yl)urea
CID 139636454
2-(1,3-thiazol-2-yl)prop-2-enehydrazide
CID 146268564
1-ethyl-3-nitro-1-(1,3-thiazol-2-yl)urea
CID 174995837
2-methyl-2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 62818927
2-chloroethyl N-chloro-N-(1,3-thiazol-2-yl)carbamate
CID 91370954
2-[2-(dimethylamino)ethyl-(1,3-thiazol-2-yl)amino]acetic acid
CID 107424767
1,3-thiazol-2-amine;urea
CID 87216573
2-[propan-2-yl(1,3-thiazol-2-yl)amino]propanoic acid
CID 83835505

Frequently Asked Questions

What is the IUPAC name of 1,3-diamino-1-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1,3-diamino-1-(1,3-thiazol-2-yl)urea (CID 90009382) is 1,3-diamino-1-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1,3-diamino-1-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1,3-diamino-1-(1,3-thiazol-2-yl)urea is NNC(=O)N(N)c1nccs1.
What is the InChIKey of 1,3-diamino-1-(1,3-thiazol-2-yl)urea?
The InChIKey is HOAIMEWAMYNEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5OS/c5-8-3(10)9(6)4-7-1-2-11-4/h1-2H,5-6H2,(H,8,10).
What are the key properties of 1,3-diamino-1-(1,3-thiazol-2-yl)urea?
1,3-diamino-1-(1,3-thiazol-2-yl)urea has a molecular weight of 173.20 g/mol, XLogP of -0.59, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diamino-1-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 90009382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).