N-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]methanesulfonamide

C14H22N4O2S3 — CID 57399737

IUPACN-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]methanesulfonamide
SMILESCc1nc(C)c(-c2csc(NCCCCCNS(C)(=O)=O)n2)s1
InChIInChI=1S/C14H22N4O2S3/c1-10-13(22-11(2)17-10)12-9-21-14(18-12)15-7-5-4-6-8-16-23(3,19)20/h9,16H,4-8H2,1-3H3,(H,15,18)
InChIKeyUOHHRRUERFHSGG-UHFFFAOYSA-N
MW374.56 g/mol
LogP3.01
Rot. Bonds9

About N-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]methanesulfonamide

N-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]methanesulfonamide (PubChem CID 57399737) has the molecular formula C14H22N4O2S3 and a molecular weight of 374.56 g/mol. Its IUPAC name is N-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]methanesulfonamide
PubChem CID57399737
Molecular FormulaC14H22N4O2S3
Molecular Weight374.56 g/mol
Exact Mass374.09
IUPAC NameN-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]methanesulfonamide
SMILESCc1nc(C)c(-c2csc(NCCCCCNS(C)(=O)=O)n2)s1
InChIInChI=1S/C14H22N4O2S3/c1-10-13(22-11(2)17-10)12-9-21-14(18-12)15-7-5-4-6-8-16-23(3,19)20/h9,16H,4-8H2,1-3H3,(H,15,18)
InChIKeyUOHHRRUERFHSGG-UHFFFAOYSA-N
XLogP3.01
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.56
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]methanesulfonamide?
The IUPAC name of N-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]methanesulfonamide (CID 57399737) is N-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]methanesulfonamide.
What is the SMILES notation for N-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]methanesulfonamide?
The canonical SMILES for N-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]methanesulfonamide is Cc1nc(C)c(-c2csc(NCCCCCNS(C)(=O)=O)n2)s1.
What is the InChIKey of N-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]methanesulfonamide?
The InChIKey is UOHHRRUERFHSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S3/c1-10-13(22-11(2)17-10)12-9-21-14(18-12)15-7-5-4-6-8-16-23(3,19)20/h9,16H,4-8H2,1-3H3,(H,15,18).
What are the key properties of N-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]methanesulfonamide?
N-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]methanesulfonamide has a molecular weight of 374.56 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]methanesulfonamide is sourced from PubChem (CID 57399737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).