N-[4-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]sulfanylphenyl]acetamide

C14H18N4OS2 — CID 143880092

IUPACN-[4-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SNc2nnc(C(C)(C)C)s2)cc1
InChIInChI=1S/C14H18N4OS2/c1-9(19)15-10-5-7-11(8-6-10)21-18-13-17-16-12(20-13)14(2,3)4/h5-8H,1-4H3,(H,15,19)(H,17,18)
InChIKeyUYXDKSQXKOXXHD-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.91
Rot. Bonds4

About N-[4-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]sulfanylphenyl]acetamide

N-[4-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]sulfanylphenyl]acetamide (PubChem CID 143880092) has the molecular formula C14H18N4OS2 and a molecular weight of 322.46 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]sulfanylphenyl]acetamide
PubChem CID143880092
Molecular FormulaC14H18N4OS2
Molecular Weight322.46 g/mol
Exact Mass322.09
IUPAC NameN-[4-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SNc2nnc(C(C)(C)C)s2)cc1
InChIInChI=1S/C14H18N4OS2/c1-9(19)15-10-5-7-11(8-6-10)21-18-13-17-16-12(20-13)14(2,3)4/h5-8H,1-4H3,(H,15,19)(H,17,18)
InChIKeyUYXDKSQXKOXXHD-UHFFFAOYSA-N
XLogP3.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
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CID 17120165
(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid
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N-[4-(2-aminopropan-2-ylsulfanyl)phenyl]acetamide
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N-[4-[[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]amino]sulfanylphenyl]acetamide
CID 143247585
2-(4-bromophenyl)sulfanyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide
CID 55908702
4-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide
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N-(4-butylphenyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)butanediamide
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(2S)-2-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119279881
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylbutanamide
CID 1080641
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
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N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-[4-(prop-2-enoylamino)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]sulfanylphenyl]acetamide (CID 143880092) is N-[4-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]sulfanylphenyl]acetamide is CC(=O)Nc1ccc(SNc2nnc(C(C)(C)C)s2)cc1.
What is the InChIKey of N-[4-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]sulfanylphenyl]acetamide?
The InChIKey is UYXDKSQXKOXXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS2/c1-9(19)15-10-5-7-11(8-6-10)21-18-13-17-16-12(20-13)14(2,3)4/h5-8H,1-4H3,(H,15,19)(H,17,18).
What are the key properties of N-[4-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]sulfanylphenyl]acetamide?
N-[4-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]sulfanylphenyl]acetamide has a molecular weight of 322.46 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]sulfanylphenyl]acetamide is sourced from PubChem (CID 143880092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).