2-(ethylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide

C10H10F3N5OS — CID 154769739

IUPAC2-(ethylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)Nc2cn[nH]c2C(F)(F)F)s1
InChIInChI=1S/C10H10F3N5OS/c1-2-14-9-15-4-6(20-9)8(19)17-5-3-16-18-7(5)10(11,12)13/h3-4H,2H2,1H3,(H,14,15)(H,16,18)(H,17,19)
InChIKeyKDLNKWPGAVBCBL-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.57
Rot. Bonds4

About 2-(ethylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide

2-(ethylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 154769739) has the molecular formula C10H10F3N5OS and a molecular weight of 305.29 g/mol. Its IUPAC name is 2-(ethylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID154769739
Molecular FormulaC10H10F3N5OS
Molecular Weight305.29 g/mol
Exact Mass305.06
IUPAC Name2-(ethylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)Nc2cn[nH]c2C(F)(F)F)s1
InChIInChI=1S/C10H10F3N5OS/c1-2-14-9-15-4-6(20-9)8(19)17-5-3-16-18-7(5)10(11,12)13/h3-4H,2H2,1H3,(H,14,15)(H,16,18)(H,17,19)
InChIKeyKDLNKWPGAVBCBL-UHFFFAOYSA-N
XLogP2.57
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide (CID 154769739) is 2-(ethylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide is CCNc1ncc(C(=O)Nc2cn[nH]c2C(F)(F)F)s1.
What is the InChIKey of 2-(ethylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is KDLNKWPGAVBCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5OS/c1-2-14-9-15-4-6(20-9)8(19)17-5-3-16-18-7(5)10(11,12)13/h3-4H,2H2,1H3,(H,14,15)(H,16,18)(H,17,19).
What are the key properties of 2-(ethylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide?
2-(ethylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 305.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154769739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).