4-cyclopropylsulfonyl-5-N-(6-methylheptan-2-yl)-1,2-thiazole-3,5-diamine

C14H25N3O2S2 — CID 103348967

IUPAC4-cyclopropylsulfonyl-5-N-(6-methylheptan-2-yl)-1,2-thiazole-3,5-diamine
SMILESCC(C)CCCC(C)Nc1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C14H25N3O2S2/c1-9(2)5-4-6-10(3)16-14-12(13(15)17-20-14)21(18,19)11-7-8-11/h9-11,16H,4-8H2,1-3H3,(H2,15,17)
InChIKeyCBTLNASMUSXXMQ-UHFFFAOYSA-N
MW331.51 g/mol
LogP3.29
Rot. Bonds8

About 4-cyclopropylsulfonyl-5-N-(6-methylheptan-2-yl)-1,2-thiazole-3,5-diamine

4-cyclopropylsulfonyl-5-N-(6-methylheptan-2-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103348967) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-(6-methylheptan-2-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-(6-methylheptan-2-yl)-1,2-thiazole-3,5-diamine
PubChem CID103348967
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC Name4-cyclopropylsulfonyl-5-N-(6-methylheptan-2-yl)-1,2-thiazole-3,5-diamine
SMILESCC(C)CCCC(C)Nc1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C14H25N3O2S2/c1-9(2)5-4-6-10(3)16-14-12(13(15)17-20-14)21(18,19)11-7-8-11/h9-11,16H,4-8H2,1-3H3,(H2,15,17)
InChIKeyCBTLNASMUSXXMQ-UHFFFAOYSA-N
XLogP3.29
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclopropylsulfonyl-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
CID 103349737
4-propylsulfonyl-5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
CID 103364980
4-cyclopropylsulfonyl-5-N-(4,4,4-trifluorobutan-2-yl)-1,2-thiazole-3,5-diamine
CID 105942291
4-cyclopropylsulfonyl-5-N-(3-methylsulfonylpropyl)-1,2-thiazole-3,5-diamine
CID 103348843
4-cyclopropylsulfonyl-5-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103348847
4-cyclopropylsulfonyl-5-N-[2-(dimethylamino)propyl]-1,2-thiazole-3,5-diamine
CID 103348849
4-cyclopropylsulfonyl-5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine
CID 103348853
4-cyclopropylsulfonyl-5-N-(1-ethylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
CID 103348861
4-cyclopropylsulfonyl-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103348863
4-cyclopropylsulfonyl-5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103348869
4-cyclopropylsulfonyl-5-N-(1-methylpyrrolidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103348891
4-cyclopropylsulfonyl-5-N-(3-methylpentan-2-yl)-1,2-thiazole-3,5-diamine
CID 103348893

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-N-(6-methylheptan-2-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-(6-methylheptan-2-yl)-1,2-thiazole-3,5-diamine (CID 103348967) is 4-cyclopropylsulfonyl-5-N-(6-methylheptan-2-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-(6-methylheptan-2-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-(6-methylheptan-2-yl)-1,2-thiazole-3,5-diamine is CC(C)CCCC(C)Nc1snc(N)c1S(=O)(=O)C1CC1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-(6-methylheptan-2-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is CBTLNASMUSXXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-9(2)5-4-6-10(3)16-14-12(13(15)17-20-14)21(18,19)11-7-8-11/h9-11,16H,4-8H2,1-3H3,(H2,15,17).
What are the key properties of 4-cyclopropylsulfonyl-5-N-(6-methylheptan-2-yl)-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-(6-methylheptan-2-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 331.51 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-(6-methylheptan-2-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103348967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).