N-methyl-2-[methyl-[2-[methyl-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide

C26H31F3N6O2S — CID 67253297

IUPACN-methyl-2-[methyl-[2-[methyl-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N(C)CCN(C)c1nc(C(=O)N(C)[C@@H]2CCCc3ccccc32)cs1
InChIInChI=1S/C26H31F3N6O2S/c1-17-14-22(26(27,28)29)31-35(17)15-23(36)32(2)12-13-33(3)25-30-20(16-38-25)24(37)34(4)21-11-7-9-18-8-5-6-10-19(18)21/h5-6,8,10,14,16,21H,7,9,11-13,15H2,1-4H3/t21-/m1/s1
InChIKeyRABYBWUCMQBEOO-OAQYLSRUSA-N
MW548.64 g/mol
LogP4.41
Rot. Bonds8

About N-methyl-2-[methyl-[2-[methyl-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide

N-methyl-2-[methyl-[2-[methyl-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 67253297) has the molecular formula C26H31F3N6O2S and a molecular weight of 548.64 g/mol. Its IUPAC name is N-methyl-2-[methyl-[2-[methyl-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[methyl-[2-[methyl-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID67253297
Molecular FormulaC26H31F3N6O2S
Molecular Weight548.64 g/mol
Exact Mass548.22
IUPAC NameN-methyl-2-[methyl-[2-[methyl-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N(C)CCN(C)c1nc(C(=O)N(C)[C@@H]2CCCc3ccccc32)cs1
InChIInChI=1S/C26H31F3N6O2S/c1-17-14-22(26(27,28)29)31-35(17)15-23(36)32(2)12-13-33(3)25-30-20(16-38-25)24(37)34(4)21-11-7-9-18-8-5-6-10-19(18)21/h5-6,8,10,14,16,21H,7,9,11-13,15H2,1-4H3/t21-/m1/s1
InChIKeyRABYBWUCMQBEOO-OAQYLSRUSA-N
XLogP4.41
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.64
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl-[2-[methyl-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-2-[methyl-[2-[methyl-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide (CID 67253297) is N-methyl-2-[methyl-[2-[methyl-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-2-[methyl-[2-[methyl-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-2-[methyl-[2-[methyl-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide is Cc1cc(C(F)(F)F)nn1CC(=O)N(C)CCN(C)c1nc(C(=O)N(C)[C@@H]2CCCc3ccccc32)cs1.
What is the InChIKey of N-methyl-2-[methyl-[2-[methyl-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is RABYBWUCMQBEOO-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H31F3N6O2S/c1-17-14-22(26(27,28)29)31-35(17)15-23(36)32(2)12-13-33(3)25-30-20(16-38-25)24(37)34(4)21-11-7-9-18-8-5-6-10-19(18)21/h5-6,8,10,14,16,21H,7,9,11-13,15H2,1-4H3/t21-/m1/s1.
What are the key properties of N-methyl-2-[methyl-[2-[methyl-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide?
N-methyl-2-[methyl-[2-[methyl-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 548.64 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl-[2-[methyl-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67253297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).