N-[3-(tert-butylamino)-3-oxo-1-thiophen-2-ylpropyl]thiadiazole-4-carboxamide

C14H18N4O2S2 — CID 22298615

IUPACN-[3-(tert-butylamino)-3-oxo-1-thiophen-2-ylpropyl]thiadiazole-4-carboxamide
SMILESCC(C)(C)NC(=O)CC(NC(=O)c1csnn1)c1cccs1
InChIInChI=1S/C14H18N4O2S2/c1-14(2,3)16-12(19)7-9(11-5-4-6-21-11)15-13(20)10-8-22-18-17-10/h4-6,8-9H,7H2,1-3H3,(H,15,20)(H,16,19)
InChIKeyYPDMNBMJCHPEPQ-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.38
Rot. Bonds5

About N-[3-(tert-butylamino)-3-oxo-1-thiophen-2-ylpropyl]thiadiazole-4-carboxamide

N-[3-(tert-butylamino)-3-oxo-1-thiophen-2-ylpropyl]thiadiazole-4-carboxamide (PubChem CID 22298615) has the molecular formula C14H18N4O2S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[3-(tert-butylamino)-3-oxo-1-thiophen-2-ylpropyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(tert-butylamino)-3-oxo-1-thiophen-2-ylpropyl]thiadiazole-4-carboxamide
PubChem CID22298615
Molecular FormulaC14H18N4O2S2
Molecular Weight338.46 g/mol
Exact Mass338.09
IUPAC NameN-[3-(tert-butylamino)-3-oxo-1-thiophen-2-ylpropyl]thiadiazole-4-carboxamide
SMILESCC(C)(C)NC(=O)CC(NC(=O)c1csnn1)c1cccs1
InChIInChI=1S/C14H18N4O2S2/c1-14(2,3)16-12(19)7-9(11-5-4-6-21-11)15-13(20)10-8-22-18-17-10/h4-6,8-9H,7H2,1-3H3,(H,15,20)(H,16,19)
InChIKeyYPDMNBMJCHPEPQ-UHFFFAOYSA-N
XLogP2.38
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-3-(carbamoylamino)-N-methyl-3-thiophen-2-ylpropanamide
CID 86915677
4-(tert-butylamino)-4-oxo-2-thiophen-2-ylbutanoic acid
CID 70083216
N-tert-butyl-2-(dithiophen-2-ylmethylamino)acetamide
CID 115356281
4-[[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]amino]-4-methylpentanoic acid
CID 119357780
N-[(1R)-2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopentylthiadiazole-4-carboxamide
CID 7435095
N-tert-butyl-3-(1-thiophen-2-ylethylamino)propanamide
CID 112688583
N-tert-butyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]acetamide
CID 113293230
N-tert-butyl-2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetamide
CID 113220254
3-[(2-amino-2-methylpropanoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 61266982
[3-(dimethylamino)-3-oxo-1-thiophen-2-ylpropyl]carbamic acid
CID 67423103
(3R)-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 95572538
3-(carbamoylamino)-N-(3-methylbutan-2-yl)-3-thiophen-2-ylpropanamide
CID 47137941

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylamino)-3-oxo-1-thiophen-2-ylpropyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[3-(tert-butylamino)-3-oxo-1-thiophen-2-ylpropyl]thiadiazole-4-carboxamide (CID 22298615) is N-[3-(tert-butylamino)-3-oxo-1-thiophen-2-ylpropyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[3-(tert-butylamino)-3-oxo-1-thiophen-2-ylpropyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[3-(tert-butylamino)-3-oxo-1-thiophen-2-ylpropyl]thiadiazole-4-carboxamide is CC(C)(C)NC(=O)CC(NC(=O)c1csnn1)c1cccs1.
What is the InChIKey of N-[3-(tert-butylamino)-3-oxo-1-thiophen-2-ylpropyl]thiadiazole-4-carboxamide?
The InChIKey is YPDMNBMJCHPEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S2/c1-14(2,3)16-12(19)7-9(11-5-4-6-21-11)15-13(20)10-8-22-18-17-10/h4-6,8-9H,7H2,1-3H3,(H,15,20)(H,16,19).
What are the key properties of N-[3-(tert-butylamino)-3-oxo-1-thiophen-2-ylpropyl]thiadiazole-4-carboxamide?
N-[3-(tert-butylamino)-3-oxo-1-thiophen-2-ylpropyl]thiadiazole-4-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylamino)-3-oxo-1-thiophen-2-ylpropyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 22298615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).