1,1-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)thiourea

C7H11N3S2 — CID 3613328

IUPAC1,1-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)thiourea
SMILESCc1csc(NC(=S)N(C)C)n1
InChIInChI=1S/C7H11N3S2/c1-5-4-12-6(8-5)9-7(11)10(2)3/h4H,1-3H3,(H,8,9,11)
InChIKeyFIGRRRXEUUOHRS-UHFFFAOYSA-N
MW201.32 g/mol
LogP1.71
Rot. Bonds1

About 1,1-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)thiourea

1,1-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)thiourea (PubChem CID 3613328) has the molecular formula C7H11N3S2 and a molecular weight of 201.32 g/mol. Its IUPAC name is 1,1-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name1,1-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)thiourea
PubChem CID3613328
Molecular FormulaC7H11N3S2
Molecular Weight201.32 g/mol
Exact Mass201.04
IUPAC Name1,1-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)thiourea
SMILESCc1csc(NC(=S)N(C)C)n1
InChIInChI=1S/C7H11N3S2/c1-5-4-12-6(8-5)9-7(11)10(2)3/h4H,1-3H3,(H,8,9,11)
InChIKeyFIGRRRXEUUOHRS-UHFFFAOYSA-N
XLogP1.71
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-Amino-4-methylthiazole
CID 74143
Tiotidine
CID 50287
(2-Amino-1,3-thiazol-4-YL)methyl imidothiocarbamate dihydrochloride
CID 73232
2-Thiazolamine, 4-methyl-, hydrochloride (1:1)
CID 80240
[[(4-Methyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid
CID 406059
N-cyano-3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]-N'-methylpropanimidamide
CID 12961491
N,4-dimethyl-1,3-thiazol-2-amine
CID 817030
4-Ethyl-1,3-thiazol-2-amine
CID 12378205
S-((2-Guanidino-4-thiazoyl)methyl) isothiourea hydrochloride
CID 16217034
N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 44523097
Agr 307
CID 73233
4-[(Dimethylamino)methyl]-1,3-thiazol-2-amine
CID 351685

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)thiourea?
The IUPAC name of 1,1-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)thiourea (CID 3613328) is 1,1-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for 1,1-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)thiourea?
The canonical SMILES for 1,1-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)thiourea is Cc1csc(NC(=S)N(C)C)n1.
What is the InChIKey of 1,1-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)thiourea?
The InChIKey is FIGRRRXEUUOHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S2/c1-5-4-12-6(8-5)9-7(11)10(2)3/h4H,1-3H3,(H,8,9,11).
What are the key properties of 1,1-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)thiourea?
1,1-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)thiourea has a molecular weight of 201.32 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 3613328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).