4-cyclopropyl-2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,3-thiazole

C12H22N4O2S2 — CID 106053665

IUPAC4-cyclopropyl-2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,3-thiazole
SMILESCCNCCCN(C)S(=O)(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C12H22N4O2S2/c1-3-13-7-4-8-16(2)20(17,18)15-12-14-11(9-19-12)10-5-6-10/h9-10,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyNLMRLWFSDNGZOH-UHFFFAOYSA-N
MW318.47 g/mol
LogP1.61
Rot. Bonds9

About 4-cyclopropyl-2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,3-thiazole

4-cyclopropyl-2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,3-thiazole (PubChem CID 106053665) has the molecular formula C12H22N4O2S2 and a molecular weight of 318.47 g/mol. Its IUPAC name is 4-cyclopropyl-2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,3-thiazole.

Molecular Properties

Compound Name4-cyclopropyl-2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,3-thiazole
PubChem CID106053665
Molecular FormulaC12H22N4O2S2
Molecular Weight318.47 g/mol
Exact Mass318.12
IUPAC Name4-cyclopropyl-2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,3-thiazole
SMILESCCNCCCN(C)S(=O)(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C12H22N4O2S2/c1-3-13-7-4-8-16(2)20(17,18)15-12-14-11(9-19-12)10-5-6-10/h9-10,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyNLMRLWFSDNGZOH-UHFFFAOYSA-N
XLogP1.61
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-(propylsulfamoyl)pentanimidamide
CID 12806001
5-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N'-(propylsulfamoyl)pentanimidamide
CID 53868003
2-Guanidino-4-[4-(3-methylthioureido)butyl]thiazole
CID 53670407
N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine
CID 58115634
4-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 58115695
4-cyclopropyl-N-methyl-1,3-thiazol-2-amine
CID 62956450
4-cyclopropyl-N-ethyl-1,3-thiazol-2-amine
CID 62956632
4-cyclopropyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 62956990
4-[2-(Cyclopropylmethyl-amino)-ethyl]-thiazol-2-ylamine
CID 65438540
1-[5-[2-(Diaminomethylideneamino)-1,3-thiazol-4-yl]-4-methylpentyl]-3-methylthiourea
CID 88721654
1-[5-[2-(Diaminomethylideneamino)-1,3-thiazol-4-yl]-4-methylpentyl]-3-methylthiourea;hydron
CID 88785975
1-[4-[2-(Diaminomethylideneamino)-1,3-thiazol-4-yl]pentyl]-3-methylthiourea
CID 88787064

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,3-thiazole?
The IUPAC name of 4-cyclopropyl-2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,3-thiazole (CID 106053665) is 4-cyclopropyl-2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,3-thiazole.
What is the SMILES notation for 4-cyclopropyl-2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,3-thiazole?
The canonical SMILES for 4-cyclopropyl-2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,3-thiazole is CCNCCCN(C)S(=O)(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of 4-cyclopropyl-2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,3-thiazole?
The InChIKey is NLMRLWFSDNGZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S2/c1-3-13-7-4-8-16(2)20(17,18)15-12-14-11(9-19-12)10-5-6-10/h9-10,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 4-cyclopropyl-2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,3-thiazole?
4-cyclopropyl-2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,3-thiazole has a molecular weight of 318.47 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,3-thiazole is sourced from PubChem (CID 106053665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).