N-[4-[2-(2-amino-1-phenylpropan-2-yl)-1,3-thiazol-5-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide

C25H33N5O2S2 — CID 67252276

IUPACN-[4-[2-(2-amino-1-phenylpropan-2-yl)-1,3-thiazol-5-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide
SMILESCC1CC1CN(C)c1cc(-c2cnc(C(C)(N)Cc3ccccc3)s2)cc(N(C)S(C)(=O)=O)n1
InChIInChI=1S/C25H33N5O2S2/c1-17-11-20(17)16-29(3)22-12-19(13-23(28-22)30(4)34(5,31)32)21-15-27-24(33-21)25(2,26)14-18-9-7-6-8-10-18/h6-10,12-13,15,17,20H,11,14,16,26H2,1-5H3
InChIKeyWJFMVXNJQPBMLB-UHFFFAOYSA-N
MW499.71 g/mol
LogP4.11
Rot. Bonds9

About N-[4-[2-(2-amino-1-phenylpropan-2-yl)-1,3-thiazol-5-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide

N-[4-[2-(2-amino-1-phenylpropan-2-yl)-1,3-thiazol-5-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide (PubChem CID 67252276) has the molecular formula C25H33N5O2S2 and a molecular weight of 499.71 g/mol. Its IUPAC name is N-[4-[2-(2-amino-1-phenylpropan-2-yl)-1,3-thiazol-5-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(2-amino-1-phenylpropan-2-yl)-1,3-thiazol-5-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide
PubChem CID67252276
Molecular FormulaC25H33N5O2S2
Molecular Weight499.71 g/mol
Exact Mass499.21
IUPAC NameN-[4-[2-(2-amino-1-phenylpropan-2-yl)-1,3-thiazol-5-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide
SMILESCC1CC1CN(C)c1cc(-c2cnc(C(C)(N)Cc3ccccc3)s2)cc(N(C)S(C)(=O)=O)n1
InChIInChI=1S/C25H33N5O2S2/c1-17-11-20(17)16-29(3)22-12-19(13-23(28-22)30(4)34(5,31)32)21-15-27-24(33-21)25(2,26)14-18-9-7-6-8-10-18/h6-10,12-13,15,17,20H,11,14,16,26H2,1-5H3
InChIKeyWJFMVXNJQPBMLB-UHFFFAOYSA-N
XLogP4.11
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.71
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-amino-1-phenylpropan-2-yl)-1,3-thiazol-5-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-[2-(2-amino-1-phenylpropan-2-yl)-1,3-thiazol-5-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide (CID 67252276) is N-[4-[2-(2-amino-1-phenylpropan-2-yl)-1,3-thiazol-5-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-[2-(2-amino-1-phenylpropan-2-yl)-1,3-thiazol-5-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-[2-(2-amino-1-phenylpropan-2-yl)-1,3-thiazol-5-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide is CC1CC1CN(C)c1cc(-c2cnc(C(C)(N)Cc3ccccc3)s2)cc(N(C)S(C)(=O)=O)n1.
What is the InChIKey of N-[4-[2-(2-amino-1-phenylpropan-2-yl)-1,3-thiazol-5-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide?
The InChIKey is WJFMVXNJQPBMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2S2/c1-17-11-20(17)16-29(3)22-12-19(13-23(28-22)30(4)34(5,31)32)21-15-27-24(33-21)25(2,26)14-18-9-7-6-8-10-18/h6-10,12-13,15,17,20H,11,14,16,26H2,1-5H3.
What are the key properties of N-[4-[2-(2-amino-1-phenylpropan-2-yl)-1,3-thiazol-5-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide?
N-[4-[2-(2-amino-1-phenylpropan-2-yl)-1,3-thiazol-5-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide has a molecular weight of 499.71 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-amino-1-phenylpropan-2-yl)-1,3-thiazol-5-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 67252276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).