2-[(2-methylpropylamino)methyl]-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]cyclopropane-1-carboxamide

C26H34N6OS — CID 53475732

IUPAC2-[(2-methylpropylamino)methyl]-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]cyclopropane-1-carboxamide
SMILESCC(C)CNCC1CC1C(=O)Nc1ccccc1-c1nc2cc(CN3CCNCC3)cnc2s1
InChIInChI=1S/C26H34N6OS/c1-17(2)13-28-15-19-12-21(19)24(33)30-22-6-4-3-5-20(22)25-31-23-11-18(14-29-26(23)34-25)16-32-9-7-27-8-10-32/h3-6,11,14,17,19,21,27-28H,7-10,12-13,15-16H2,1-2H3,(H,30,33)
InChIKeyLCMQPEROQSECGS-UHFFFAOYSA-N
MW478.67 g/mol
LogP3.58
Rot. Bonds9

About 2-[(2-methylpropylamino)methyl]-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]cyclopropane-1-carboxamide

2-[(2-methylpropylamino)methyl]-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]cyclopropane-1-carboxamide (PubChem CID 53475732) has the molecular formula C26H34N6OS and a molecular weight of 478.67 g/mol. Its IUPAC name is 2-[(2-methylpropylamino)methyl]-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-[(2-methylpropylamino)methyl]-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]cyclopropane-1-carboxamide
PubChem CID53475732
Molecular FormulaC26H34N6OS
Molecular Weight478.67 g/mol
Exact Mass478.25
IUPAC Name2-[(2-methylpropylamino)methyl]-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]cyclopropane-1-carboxamide
SMILESCC(C)CNCC1CC1C(=O)Nc1ccccc1-c1nc2cc(CN3CCNCC3)cnc2s1
InChIInChI=1S/C26H34N6OS/c1-17(2)13-28-15-19-12-21(19)24(33)30-22-6-4-3-5-20(22)25-31-23-11-18(14-29-26(23)34-25)16-32-9-7-27-8-10-32/h3-6,11,14,17,19,21,27-28H,7-10,12-13,15-16H2,1-2H3,(H,30,33)
InChIKeyLCMQPEROQSECGS-UHFFFAOYSA-N
XLogP3.58
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.67
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(2-methylpropylamino)methyl]-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropylamino)methyl]-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-[(2-methylpropylamino)methyl]-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]cyclopropane-1-carboxamide (CID 53475732) is 2-[(2-methylpropylamino)methyl]-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-[(2-methylpropylamino)methyl]-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-[(2-methylpropylamino)methyl]-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]cyclopropane-1-carboxamide is CC(C)CNCC1CC1C(=O)Nc1ccccc1-c1nc2cc(CN3CCNCC3)cnc2s1.
What is the InChIKey of 2-[(2-methylpropylamino)methyl]-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is LCMQPEROQSECGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6OS/c1-17(2)13-28-15-19-12-21(19)24(33)30-22-6-4-3-5-20(22)25-31-23-11-18(14-29-26(23)34-25)16-32-9-7-27-8-10-32/h3-6,11,14,17,19,21,27-28H,7-10,12-13,15-16H2,1-2H3,(H,30,33).
What are the key properties of 2-[(2-methylpropylamino)methyl]-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]cyclopropane-1-carboxamide?
2-[(2-methylpropylamino)methyl]-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 478.67 g/mol, XLogP of 3.58, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropylamino)methyl]-N-[2-[6-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 53475732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).