3-(cyclopropylmethyl)-5-[formyl(methyl)amino]-N-methyl-N-[[5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide

C19H24F3N5O3S — CID 130333400

IUPAC3-(cyclopropylmethyl)-5-[formyl(methyl)amino]-N-methyl-N-[[5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide
SMILESCc1sc(C(C)(O)C(F)(F)F)nc1CN(C)C(=O)c1c(N(C)C=O)ncn1CC1CC1
InChIInChI=1S/C19H24F3N5O3S/c1-11-13(24-17(31-11)18(2,30)19(20,21)22)8-25(3)16(29)14-15(26(4)10-28)23-9-27(14)7-12-5-6-12/h9-10,12,30H,5-8H2,1-4H3
InChIKeyWFADXYLYLFOWPN-UHFFFAOYSA-N
MW459.49 g/mol
LogP2.69
Rot. Bonds8

About 3-(cyclopropylmethyl)-5-[formyl(methyl)amino]-N-methyl-N-[[5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide

3-(cyclopropylmethyl)-5-[formyl(methyl)amino]-N-methyl-N-[[5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide (PubChem CID 130333400) has the molecular formula C19H24F3N5O3S and a molecular weight of 459.49 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-5-[formyl(methyl)amino]-N-methyl-N-[[5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-5-[formyl(methyl)amino]-N-methyl-N-[[5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide
PubChem CID130333400
Molecular FormulaC19H24F3N5O3S
Molecular Weight459.49 g/mol
Exact Mass459.16
IUPAC Name3-(cyclopropylmethyl)-5-[formyl(methyl)amino]-N-methyl-N-[[5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide
SMILESCc1sc(C(C)(O)C(F)(F)F)nc1CN(C)C(=O)c1c(N(C)C=O)ncn1CC1CC1
InChIInChI=1S/C19H24F3N5O3S/c1-11-13(24-17(31-11)18(2,30)19(20,21)22)8-25(3)16(29)14-15(26(4)10-28)23-9-27(14)7-12-5-6-12/h9-10,12,30H,5-8H2,1-4H3
InChIKeyWFADXYLYLFOWPN-UHFFFAOYSA-N
XLogP2.69
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-5-[formyl(methyl)amino]-N-methyl-N-[[5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide?
The IUPAC name of 3-(cyclopropylmethyl)-5-[formyl(methyl)amino]-N-methyl-N-[[5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide (CID 130333400) is 3-(cyclopropylmethyl)-5-[formyl(methyl)amino]-N-methyl-N-[[5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-(cyclopropylmethyl)-5-[formyl(methyl)amino]-N-methyl-N-[[5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide?
The canonical SMILES for 3-(cyclopropylmethyl)-5-[formyl(methyl)amino]-N-methyl-N-[[5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide is Cc1sc(C(C)(O)C(F)(F)F)nc1CN(C)C(=O)c1c(N(C)C=O)ncn1CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-5-[formyl(methyl)amino]-N-methyl-N-[[5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide?
The InChIKey is WFADXYLYLFOWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O3S/c1-11-13(24-17(31-11)18(2,30)19(20,21)22)8-25(3)16(29)14-15(26(4)10-28)23-9-27(14)7-12-5-6-12/h9-10,12,30H,5-8H2,1-4H3.
What are the key properties of 3-(cyclopropylmethyl)-5-[formyl(methyl)amino]-N-methyl-N-[[5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide?
3-(cyclopropylmethyl)-5-[formyl(methyl)amino]-N-methyl-N-[[5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide has a molecular weight of 459.49 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-5-[formyl(methyl)amino]-N-methyl-N-[[5-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 130333400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).