N-[4-[ethyl(propan-2-yl)amino]phenyl]-1,2,5-thiadiazole-3-carboxamide

C14H18N4OS — CID 47260947

IUPACN-[4-[ethyl(propan-2-yl)amino]phenyl]-1,2,5-thiadiazole-3-carboxamide
SMILESCCN(c1ccc(NC(=O)c2cnsn2)cc1)C(C)C
InChIInChI=1S/C14H18N4OS/c1-4-18(10(2)3)12-7-5-11(6-8-12)16-14(19)13-9-15-20-17-13/h5-10H,4H2,1-3H3,(H,16,19)
InChIKeyYKKPWNNERLYTNR-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.03
Rot. Bonds5

About N-[4-[ethyl(propan-2-yl)amino]phenyl]-1,2,5-thiadiazole-3-carboxamide

N-[4-[ethyl(propan-2-yl)amino]phenyl]-1,2,5-thiadiazole-3-carboxamide (PubChem CID 47260947) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[4-[ethyl(propan-2-yl)amino]phenyl]-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-1,2,5-thiadiazole-3-carboxamide
PubChem CID47260947
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-1,2,5-thiadiazole-3-carboxamide
SMILESCCN(c1ccc(NC(=O)c2cnsn2)cc1)C(C)C
InChIInChI=1S/C14H18N4OS/c1-4-18(10(2)3)12-7-5-11(6-8-12)16-14(19)13-9-15-20-17-13/h5-10H,4H2,1-3H3,(H,16,19)
InChIKeyYKKPWNNERLYTNR-UHFFFAOYSA-N
XLogP3.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-1,2,5-thiadiazole-3-carboxamide
CID 7213179
N-[4-(hydroxymethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide
CID 64794845
2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2404780
3-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylpropanamide
CID 62727901
4-(acetamidomethyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide
CID 18106356
2-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylbutanamide
CID 79804762
N-[4-[ethyl(propan-2-yl)amino]phenyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 166181450
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3,5-dimethoxybenzamide
CID 7406846
4-[(carbamoylamino)methyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide
CID 46560402
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide
CID 79202648
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide
CID 60641040
2-(3,4-dichlorophenyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 7892153

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-1,2,5-thiadiazole-3-carboxamide (CID 47260947) is N-[4-[ethyl(propan-2-yl)amino]phenyl]-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[4-[ethyl(propan-2-yl)amino]phenyl]-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[4-[ethyl(propan-2-yl)amino]phenyl]-1,2,5-thiadiazole-3-carboxamide is CCN(c1ccc(NC(=O)c2cnsn2)cc1)C(C)C.
What is the InChIKey of N-[4-[ethyl(propan-2-yl)amino]phenyl]-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is YKKPWNNERLYTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-4-18(10(2)3)12-7-5-11(6-8-12)16-14(19)13-9-15-20-17-13/h5-10H,4H2,1-3H3,(H,16,19).
What are the key properties of N-[4-[ethyl(propan-2-yl)amino]phenyl]-1,2,5-thiadiazole-3-carboxamide?
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(propan-2-yl)amino]phenyl]-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 47260947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).