N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-1-propan-2-ylpyrazole-4-carboxamide

C14H20N4OS2 — CID 70740047

IUPACN-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCSCc1nc(CCNC(=O)c2cnn(C(C)C)c2)cs1
InChIInChI=1S/C14H20N4OS2/c1-10(2)18-7-11(6-16-18)14(19)15-5-4-12-8-21-13(17-12)9-20-3/h6-8,10H,4-5,9H2,1-3H3,(H,15,19)
InChIKeyBDBNMROEGVOSCP-UHFFFAOYSA-N
MW324.48 g/mol
LogP2.76
Rot. Bonds7

About N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-1-propan-2-ylpyrazole-4-carboxamide

N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 70740047) has the molecular formula C14H20N4OS2 and a molecular weight of 324.48 g/mol. Its IUPAC name is N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID70740047
Molecular FormulaC14H20N4OS2
Molecular Weight324.48 g/mol
Exact Mass324.11
IUPAC NameN-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCSCc1nc(CCNC(=O)c2cnn(C(C)C)c2)cs1
InChIInChI=1S/C14H20N4OS2/c1-10(2)18-7-11(6-16-18)14(19)15-5-4-12-8-21-13(17-12)9-20-3/h6-8,10H,4-5,9H2,1-3H3,(H,15,19)
InChIKeyBDBNMROEGVOSCP-UHFFFAOYSA-N
XLogP2.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 70740047) is N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-1-propan-2-ylpyrazole-4-carboxamide is CSCc1nc(CCNC(=O)c2cnn(C(C)C)c2)cs1.
What is the InChIKey of N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is BDBNMROEGVOSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS2/c1-10(2)18-7-11(6-16-18)14(19)15-5-4-12-8-21-13(17-12)9-20-3/h6-8,10H,4-5,9H2,1-3H3,(H,15,19).
What are the key properties of N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-1-propan-2-ylpyrazole-4-carboxamide?
N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 324.48 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 70740047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).