1-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea

C11H17N3S2 — CID 19676478

IUPAC1-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea
SMILESCC(C)NC(=S)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C11H17N3S2/c1-7(2)12-10(15)14-11-13-8-5-3-4-6-9(8)16-11/h7H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyGYOSVYBVVSTBKS-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.72
Rot. Bonds2

About 1-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea

1-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea (PubChem CID 19676478) has the molecular formula C11H17N3S2 and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea.

Molecular Properties

Compound Name1-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea
PubChem CID19676478
Molecular FormulaC11H17N3S2
Molecular Weight255.41 g/mol
Exact Mass255.09
IUPAC Name1-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea
SMILESCC(C)NC(=S)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C11H17N3S2/c1-7(2)12-10(15)14-11-13-8-5-3-4-6-9(8)16-11/h7H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyGYOSVYBVVSTBKS-UHFFFAOYSA-N
XLogP2.72
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pramipexole
CID 119570
Dexpramipexole
CID 59868
Pramipexole Dihydrochloride Anhydrous
CID 119569
Pramipexole Dihydrochloride Monohydrate
CID 166589
2-Amino-4,5,6,7-tetrahydrobenzothiazole
CID 18046
4,5,6,7-Tetrahydro-N6-propyl-2,6-benzothiazolediamine
CID 4885
4,5,6,7-Tetrahydro-1,3-benzothiazol-2-amine hydroiodide
CID 11580040
PRAMIPEXOLE HCl
CID 9964861
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-pentylurea
CID 164612037
N~6~,N~6~-Dipropyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 13670706
2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole
CID 10329721
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 3706069

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea?
The IUPAC name of 1-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea (CID 19676478) is 1-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea.
What is the SMILES notation for 1-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea?
The canonical SMILES for 1-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea is CC(C)NC(=S)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 1-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea?
The InChIKey is GYOSVYBVVSTBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S2/c1-7(2)12-10(15)14-11-13-8-5-3-4-6-9(8)16-11/h7H,3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 1-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea?
1-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea has a molecular weight of 255.41 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea is sourced from PubChem (CID 19676478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).