(4-amino-1,3-thiazol-2-yl)urea

C4H6N4OS — CID 54445235

IUPAC(4-amino-1,3-thiazol-2-yl)urea
SMILESNC(=O)Nc1nc(N)cs1
InChIInChI=1S/C4H6N4OS/c5-2-1-10-4(7-2)8-3(6)9/h1H,5H2,(H3,6,7,8,9)
InChIKeyQLEDGSIKBHCATC-UHFFFAOYSA-N
MW158.19 g/mol
LogP0.22
Rot. Bonds1

About (4-amino-1,3-thiazol-2-yl)urea

(4-amino-1,3-thiazol-2-yl)urea (PubChem CID 54445235) has the molecular formula C4H6N4OS and a molecular weight of 158.19 g/mol. Its IUPAC name is (4-amino-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name(4-amino-1,3-thiazol-2-yl)urea
PubChem CID54445235
Molecular FormulaC4H6N4OS
Molecular Weight158.19 g/mol
Exact Mass158.03
IUPAC Name(4-amino-1,3-thiazol-2-yl)urea
SMILESNC(=O)Nc1nc(N)cs1
InChIInChI=1S/C4H6N4OS/c5-2-1-10-4(7-2)8-3(6)9/h1H,5H2,(H3,6,7,8,9)
InChIKeyQLEDGSIKBHCATC-UHFFFAOYSA-N
XLogP0.22
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.19
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Thiazole-2,4-diamine hydrochloride
CID 118994
Thiazole-2,4-diamine
CID 118995
4-N-methoxy-1,3-thiazole-2,4-diamine
CID 57069269
2-N,4-N-bis(trifluoromethyl)-1,3-thiazole-2,4-diamine
CID 91169281
methyl N-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]carbamate
CID 355788
(2-Acetamido-1,3-thiazol-4-yl) thiocyanate
CID 134938418
2,2,2-trifluoro-N-(4-isothiocyanato-1,3-thiazol-2-yl)acetamide
CID 101657496
N-(2-Methylthiazol-4-yl)acetamide
CID 12229026
1,3-Thiazol-4-ylurea
CID 18772064
N-(2-amino-1,3-thiazol-4-yl)acetamide
CID 19860466
1-[2-(Diaminomethylideneamino)-1,3-thiazol-4-yl]-1-methylurea
CID 20148950
N-(2-acetamido-1,3-thiazol-4-yl)acetamide
CID 20294031

Frequently Asked Questions

What is the IUPAC name of (4-amino-1,3-thiazol-2-yl)urea?
The IUPAC name of (4-amino-1,3-thiazol-2-yl)urea (CID 54445235) is (4-amino-1,3-thiazol-2-yl)urea.
What is the SMILES notation for (4-amino-1,3-thiazol-2-yl)urea?
The canonical SMILES for (4-amino-1,3-thiazol-2-yl)urea is NC(=O)Nc1nc(N)cs1.
What is the InChIKey of (4-amino-1,3-thiazol-2-yl)urea?
The InChIKey is QLEDGSIKBHCATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4OS/c5-2-1-10-4(7-2)8-3(6)9/h1H,5H2,(H3,6,7,8,9).
What are the key properties of (4-amino-1,3-thiazol-2-yl)urea?
(4-amino-1,3-thiazol-2-yl)urea has a molecular weight of 158.19 g/mol, XLogP of 0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 54445235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).