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

C7H6N4OS2 — CID 12995505

IUPAC1,3-bis(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)Nc1nccs1
InChIInChI=1S/C7H6N4OS2/c12-5(10-6-8-1-3-13-6)11-7-9-2-4-14-7/h1-4H,(H2,8,9,10,11,12)
InChIKeyGUKZDIUCKXLTGW-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.24
Rot. Bonds2

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

1,3-bis(1,3-thiazol-2-yl)urea (PubChem CID 12995505) has the molecular formula C7H6N4OS2 and a molecular weight of 226.29 g/mol. Its IUPAC name is 1,3-bis(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1,3-bis(1,3-thiazol-2-yl)urea
PubChem CID12995505
Molecular FormulaC7H6N4OS2
Molecular Weight226.29 g/mol
Exact Mass226.00
IUPAC Name1,3-bis(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)Nc1nccs1
InChIInChI=1S/C7H6N4OS2/c12-5(10-6-8-1-3-13-6)11-7-9-2-4-14-7/h1-4H,(H2,8,9,10,11,12)
InChIKeyGUKZDIUCKXLTGW-UHFFFAOYSA-N
XLogP2.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Acetamidothiazole
CID 17625
2-((5-Amino-1,3,4-thiadiazol-2-yl)thio)-N-(thiazol-2-yl)acetamide
CID 1887129
3-Ethyl-1-(1,3-thiazol-2-yl)urea
CID 2382314
2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide
CID 24980829
N-Methyl-N'-1,3-thiazol-2-ylurea
CID 326069
Azane;1,3-thiazol-2-ylcarbamoylsulfamic acid
CID 168299156
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 649689
4-amino-2-sulfanylidene-N-(1,3-thiazol-2-yl)-3H-1,3-thiazole-5-carboxamide
CID 4275223
Thiazolidin-4-one, 2-(2-thiazolylimino)-
CID 135514034
2-Imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 607976
Guanidine, N-(1,1-dimethylethyl)-N',N''-bis(2-thiazolyl)-
CID 3055125
Urea, 1-methyl-3-(2-thiazolyl)-2-thio-
CID 3037328

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1,3-thiazol-2-yl)urea?
The IUPAC name of 1,3-bis(1,3-thiazol-2-yl)urea (CID 12995505) is 1,3-bis(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1,3-bis(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1,3-bis(1,3-thiazol-2-yl)urea is O=C(Nc1nccs1)Nc1nccs1.
What is the InChIKey of 1,3-bis(1,3-thiazol-2-yl)urea?
The InChIKey is GUKZDIUCKXLTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4OS2/c12-5(10-6-8-1-3-13-6)11-7-9-2-4-14-7/h1-4H,(H2,8,9,10,11,12).
What are the key properties of 1,3-bis(1,3-thiazol-2-yl)urea?
1,3-bis(1,3-thiazol-2-yl)urea has a molecular weight of 226.29 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 12995505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).