1,3-thiazol-2-amine;urea

C4H8N4OS — CID 87216573

IUPAC1,3-thiazol-2-amine;urea
SMILESNC(N)=O.Nc1nccs1
InChIInChI=1S/C3H4N2S.CH4N2O/c4-3-5-1-2-6-3;2-1(3)4/h1-2H,(H2,4,5);(H4,2,3,4)
InChIKeyYHXLWQGSQWIDIB-UHFFFAOYSA-N
MW160.20 g/mol
LogP-0.25
Rot. Bonds

About 1,3-thiazol-2-amine;urea

1,3-thiazol-2-amine;urea (PubChem CID 87216573) has the molecular formula C4H8N4OS and a molecular weight of 160.20 g/mol. Its IUPAC name is 1,3-thiazol-2-amine;urea.

Molecular Properties

Compound Name1,3-thiazol-2-amine;urea
PubChem CID87216573
Molecular FormulaC4H8N4OS
Molecular Weight160.20 g/mol
Exact Mass160.04
IUPAC Name1,3-thiazol-2-amine;urea
SMILESNC(N)=O.Nc1nccs1
InChIInChI=1S/C3H4N2S.CH4N2O/c4-3-5-1-2-6-3;2-1(3)4/h1-2H,(H2,4,5);(H4,2,3,4)
InChIKeyYHXLWQGSQWIDIB-UHFFFAOYSA-N
XLogP-0.25
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-2-amine;urea?
The IUPAC name of 1,3-thiazol-2-amine;urea (CID 87216573) is 1,3-thiazol-2-amine;urea.
What is the SMILES notation for 1,3-thiazol-2-amine;urea?
The canonical SMILES for 1,3-thiazol-2-amine;urea is NC(N)=O.Nc1nccs1.
What is the InChIKey of 1,3-thiazol-2-amine;urea?
The InChIKey is YHXLWQGSQWIDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2S.CH4N2O/c4-3-5-1-2-6-3;2-1(3)4/h1-2H,(H2,4,5);(H4,2,3,4).
What are the key properties of 1,3-thiazol-2-amine;urea?
1,3-thiazol-2-amine;urea has a molecular weight of 160.20 g/mol, XLogP of -0.25, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-2-amine;urea is sourced from PubChem (CID 87216573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).