N-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide

C11H11ClN4OS2 — CID 118944505

IUPACN-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1sc(-c2cncnc2)nc1Cl
InChIInChI=1S/C11H11ClN4OS2/c1-18-3-2-8(17)15-11-9(12)16-10(19-11)7-4-13-6-14-5-7/h4-6H,2-3H2,1H3,(H,15,17)
InChIKeyYWQIMHWMJMBXGL-UHFFFAOYSA-N
MW314.82 g/mol
LogP2.95
Rot. Bonds5

About N-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide

N-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide (PubChem CID 118944505) has the molecular formula C11H11ClN4OS2 and a molecular weight of 314.82 g/mol. Its IUPAC name is N-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide
PubChem CID118944505
Molecular FormulaC11H11ClN4OS2
Molecular Weight314.82 g/mol
Exact Mass314.01
IUPAC NameN-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1sc(-c2cncnc2)nc1Cl
InChIInChI=1S/C11H11ClN4OS2/c1-18-3-2-8(17)15-11-9(12)16-10(19-11)7-4-13-6-14-5-7/h4-6H,2-3H2,1H3,(H,15,17)
InChIKeyYWQIMHWMJMBXGL-UHFFFAOYSA-N
XLogP2.95
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-Chloro-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 130419508
2-[4-Chloro-5-[[4-(2,2-difluoroethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 130419509
2-[4-Chloro-5-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 130419715
2-[4-Chloro-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 130419717
3-[4-Chloro-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-3-methylpyrrolidin-2-one
CID 162370165
2-[5-[[5-Bromo-4-(ethylamino)pyrimidin-2-yl]amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide
CID 130419510
2-[5-[[5-Bromo-4-(cyclopropylamino)pyrimidin-2-yl]amino]-4-chloro-1,3-thiazol-2-yl]-2-methylpropanamide
CID 130419512
N-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-N-prop-2-ynyl-3-(3,3,3-trifluoropropylsulfonyl)propanamide
CID 118023281
N-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-N-prop-2-ynyl-3-(3,3,3-trifluoropropylsulfinyl)propanamide
CID 118023750
N-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-N-prop-2-ynyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide
CID 118024108
N-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-N-pent-2-ynyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide
CID 139334105
N-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-(3,3-difluorobutylsulfinyl)-N-prop-2-ynylpropanamide
CID 164118574

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide?
The IUPAC name of N-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide (CID 118944505) is N-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide is CSCCC(=O)Nc1sc(-c2cncnc2)nc1Cl.
What is the InChIKey of N-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide?
The InChIKey is YWQIMHWMJMBXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4OS2/c1-18-3-2-8(17)15-11-9(12)16-10(19-11)7-4-13-6-14-5-7/h4-6H,2-3H2,1H3,(H,15,17).
What are the key properties of N-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide?
N-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide has a molecular weight of 314.82 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 118944505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).