3-[(4-chloro-1,3-thiazol-2-yl)amino]-N,N-diethylpropanamide

C10H16ClN3OS — CID 83152406

IUPAC3-[(4-chloro-1,3-thiazol-2-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNc1nc(Cl)cs1
InChIInChI=1S/C10H16ClN3OS/c1-3-14(4-2)9(15)5-6-12-10-13-8(11)7-16-10/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyYEVZTKIRWFRCDB-UHFFFAOYSA-N
MW261.78 g/mol
LogP2.47
Rot. Bonds6

About 3-[(4-chloro-1,3-thiazol-2-yl)amino]-N,N-diethylpropanamide

3-[(4-chloro-1,3-thiazol-2-yl)amino]-N,N-diethylpropanamide (PubChem CID 83152406) has the molecular formula C10H16ClN3OS and a molecular weight of 261.78 g/mol. Its IUPAC name is 3-[(4-chloro-1,3-thiazol-2-yl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[(4-chloro-1,3-thiazol-2-yl)amino]-N,N-diethylpropanamide
PubChem CID83152406
Molecular FormulaC10H16ClN3OS
Molecular Weight261.78 g/mol
Exact Mass261.07
IUPAC Name3-[(4-chloro-1,3-thiazol-2-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNc1nc(Cl)cs1
InChIInChI=1S/C10H16ClN3OS/c1-3-14(4-2)9(15)5-6-12-10-13-8(11)7-16-10/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyYEVZTKIRWFRCDB-UHFFFAOYSA-N
XLogP2.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.78
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(4-chloro-1,3-thiazol-2-yl)-N-ethylethane-1,2-diamine
CID 83156277
tert-butyl N-[2-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]carbamate
CID 114518206
3-[(2-chloropyrimidin-4-yl)amino]-N,N-diethylpropanamide
CID 115695349
4-chloro-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 83153720
N-(4-chloro-1,3-thiazol-2-yl)-N',N'-dimethylbutane-1,4-diamine
CID 83152296
3-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-N,N-diethylpropanamide
CID 102762551
4-chloro-N-(3-methylsulfanylpropyl)-1,3-thiazol-2-amine
CID 83153503
2,6-dichloro-N-[3-(diethylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 106993258
N,N-diethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
CID 54935908
ethyl 2-[[3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-4-carboxylate
CID 80568319
N,N-diethyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide
CID 115691610
2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]-3-methylbutanoic acid
CID 83153567

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-1,3-thiazol-2-yl)amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[(4-chloro-1,3-thiazol-2-yl)amino]-N,N-diethylpropanamide (CID 83152406) is 3-[(4-chloro-1,3-thiazol-2-yl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[(4-chloro-1,3-thiazol-2-yl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[(4-chloro-1,3-thiazol-2-yl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNc1nc(Cl)cs1.
What is the InChIKey of 3-[(4-chloro-1,3-thiazol-2-yl)amino]-N,N-diethylpropanamide?
The InChIKey is YEVZTKIRWFRCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3OS/c1-3-14(4-2)9(15)5-6-12-10-13-8(11)7-16-10/h7H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 3-[(4-chloro-1,3-thiazol-2-yl)amino]-N,N-diethylpropanamide?
3-[(4-chloro-1,3-thiazol-2-yl)amino]-N,N-diethylpropanamide has a molecular weight of 261.78 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-1,3-thiazol-2-yl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 83152406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).