2-morpholin-4-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide

C19H25N5O2S — CID 138808421

IUPAC2-morpholin-4-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
SMILESO=C(NCc1n[nH]c2c1CCC2)C1CCc2sc(N3CCOCC3)nc2C1
InChIInChI=1S/C19H25N5O2S/c25-18(20-11-16-13-2-1-3-14(13)22-23-16)12-4-5-17-15(10-12)21-19(27-17)24-6-8-26-9-7-24/h12H,1-11H2,(H,20,25)(H,22,23)
InChIKeyNZYYMQYBWWVBTR-UHFFFAOYSA-N
MW387.51 g/mol
LogP1.61
Rot. Bonds4

About 2-morpholin-4-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide

2-morpholin-4-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide (PubChem CID 138808421) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
PubChem CID138808421
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name2-morpholin-4-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
SMILESO=C(NCc1n[nH]c2c1CCC2)C1CCc2sc(N3CCOCC3)nc2C1
InChIInChI=1S/C19H25N5O2S/c25-18(20-11-16-13-2-1-3-14(13)22-23-16)12-4-5-17-15(10-12)21-19(27-17)24-6-8-26-9-7-24/h12H,1-11H2,(H,20,25)(H,22,23)
InChIKeyNZYYMQYBWWVBTR-UHFFFAOYSA-N
XLogP1.61
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The IUPAC name of 2-morpholin-4-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide (CID 138808421) is 2-morpholin-4-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide is O=C(NCc1n[nH]c2c1CCC2)C1CCc2sc(N3CCOCC3)nc2C1.
What is the InChIKey of 2-morpholin-4-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The InChIKey is NZYYMQYBWWVBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c25-18(20-11-16-13-2-1-3-14(13)22-23-16)12-4-5-17-15(10-12)21-19(27-17)24-6-8-26-9-7-24/h12H,1-11H2,(H,20,25)(H,22,23).
What are the key properties of 2-morpholin-4-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
2-morpholin-4-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 138808421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).