4-(2-chloro-5-propan-2-yl-1,3-thiazole-4-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide

C13H21ClN4O3S2 — CID 71703992

IUPAC4-(2-chloro-5-propan-2-yl-1,3-thiazole-4-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCC(C)c1sc(Cl)nc1C(=O)N1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C13H21ClN4O3S2/c1-9(2)11-10(15-13(14)22-11)12(19)17-5-7-18(8-6-17)23(20,21)16(3)4/h9H,5-8H2,1-4H3
InChIKeyIUDPNHBZFNWIAK-UHFFFAOYSA-N
MW380.92 g/mol
LogP1.48
Rot. Bonds4

About 4-(2-chloro-5-propan-2-yl-1,3-thiazole-4-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide

4-(2-chloro-5-propan-2-yl-1,3-thiazole-4-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 71703992) has the molecular formula C13H21ClN4O3S2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 4-(2-chloro-5-propan-2-yl-1,3-thiazole-4-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-chloro-5-propan-2-yl-1,3-thiazole-4-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID71703992
Molecular FormulaC13H21ClN4O3S2
Molecular Weight380.92 g/mol
Exact Mass380.07
IUPAC Name4-(2-chloro-5-propan-2-yl-1,3-thiazole-4-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
SMILESCC(C)c1sc(Cl)nc1C(=O)N1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C13H21ClN4O3S2/c1-9(2)11-10(15-13(14)22-11)12(19)17-5-7-18(8-6-17)23(20,21)16(3)4/h9H,5-8H2,1-4H3
InChIKeyIUDPNHBZFNWIAK-UHFFFAOYSA-N
XLogP1.48
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2-chloro-5-propan-2-yl-1,3-thiazole-4-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide with MolForge

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Related Compounds

2-chloro-5-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 2764077
4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 62082114
4-(3,5-dihydroxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 108570154
4-(2-chloropyridine-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 33006202
4-(2-methoxy-5-propan-2-ylbenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 110805042
[4-(2-bromo-5-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 71703113
N,N-dimethyl-4-(thiophene-3-carbonyl)piperazine-1-sulfonamide
CID 32503634
[(3aS,4S,8bS)-4-amino-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl]-(2-chloro-5-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 125212365
4-(5-chloro-4-iodo-2-methoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 46412003
4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 110805088
4-(5-iodothiophene-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 78948394
4-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 32503491

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-propan-2-yl-1,3-thiazole-4-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-(2-chloro-5-propan-2-yl-1,3-thiazole-4-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide (CID 71703992) is 4-(2-chloro-5-propan-2-yl-1,3-thiazole-4-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-chloro-5-propan-2-yl-1,3-thiazole-4-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(2-chloro-5-propan-2-yl-1,3-thiazole-4-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide is CC(C)c1sc(Cl)nc1C(=O)N1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of 4-(2-chloro-5-propan-2-yl-1,3-thiazole-4-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is IUDPNHBZFNWIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O3S2/c1-9(2)11-10(15-13(14)22-11)12(19)17-5-7-18(8-6-17)23(20,21)16(3)4/h9H,5-8H2,1-4H3.
What are the key properties of 4-(2-chloro-5-propan-2-yl-1,3-thiazole-4-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide?
4-(2-chloro-5-propan-2-yl-1,3-thiazole-4-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 380.92 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-propan-2-yl-1,3-thiazole-4-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 71703992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).