N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide

C17H28N4O3S2 — CID 56546158

IUPACN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)Nc1nc(C)c(SCC(N)=O)s1
InChIInChI=1S/C17H28N4O3S2/c1-4-9-21(10-5-2)15(24)8-6-7-14(23)20-17-19-12(3)16(26-17)25-11-13(18)22/h4-11H2,1-3H3,(H2,18,22)(H,19,20,23)
InChIKeyGXXQSGGCXUWBSB-UHFFFAOYSA-N
MW400.57 g/mol
LogP2.79
Rot. Bonds12

About N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide

N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide (PubChem CID 56546158) has the molecular formula C17H28N4O3S2 and a molecular weight of 400.57 g/mol. Its IUPAC name is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide.

Molecular Properties

Compound NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide
PubChem CID56546158
Molecular FormulaC17H28N4O3S2
Molecular Weight400.57 g/mol
Exact Mass400.16
IUPAC NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)Nc1nc(C)c(SCC(N)=O)s1
InChIInChI=1S/C17H28N4O3S2/c1-4-9-21(10-5-2)15(24)8-6-7-14(23)20-17-19-12(3)16(26-17)25-11-13(18)22/h4-11H2,1-3H3,(H2,18,22)(H,19,20,23)
InChIKeyGXXQSGGCXUWBSB-UHFFFAOYSA-N
XLogP2.79
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]propanamide;hydrochloride
CID 119291959
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide
CID 39024795
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 38308718
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide
CID 39024026
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 38309039
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
CID 55653267
N-(5,6-difluoro-1,3-benzothiazol-2-yl)-N',N'-dipropylpentanediamide
CID 56538986
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 38585979
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3,5-bis(trifluoromethyl)benzamide
CID 39024284
3-amino-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide
CID 130831835
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(1H-indol-3-yl)acetamide
CID 39023747
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide
CID 56565141

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide?
The IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide (CID 56546158) is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide.
What is the SMILES notation for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide?
The canonical SMILES for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide is CCCN(CCC)C(=O)CCCC(=O)Nc1nc(C)c(SCC(N)=O)s1.
What is the InChIKey of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide?
The InChIKey is GXXQSGGCXUWBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S2/c1-4-9-21(10-5-2)15(24)8-6-7-14(23)20-17-19-12(3)16(26-17)25-11-13(18)22/h4-11H2,1-3H3,(H2,18,22)(H,19,20,23).
What are the key properties of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide?
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide has a molecular weight of 400.57 g/mol, XLogP of 2.79, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide is sourced from PubChem (CID 56546158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).