2-amino-4-ethyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-thiazole-5-carboxamide

C15H21N5OS — CID 56873295

IUPAC2-amino-4-ethyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCCc1nc(N)sc1C(=O)NCc1n[nH]c2c1CCCCC2
InChIInChI=1S/C15H21N5OS/c1-2-10-13(22-15(16)18-10)14(21)17-8-12-9-6-4-3-5-7-11(9)19-20-12/h2-8H2,1H3,(H2,16,18)(H,17,21)(H,19,20)
InChIKeyVCPGTUNXZSIVEB-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.21
Rot. Bonds4

About 2-amino-4-ethyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-thiazole-5-carboxamide

2-amino-4-ethyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 56873295) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-amino-4-ethyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-ethyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID56873295
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name2-amino-4-ethyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCCc1nc(N)sc1C(=O)NCc1n[nH]c2c1CCCCC2
InChIInChI=1S/C15H21N5OS/c1-2-10-13(22-15(16)18-10)14(21)17-8-12-9-6-4-3-5-7-11(9)19-20-12/h2-8H2,1H3,(H2,16,18)(H,17,21)(H,19,20)
InChIKeyVCPGTUNXZSIVEB-UHFFFAOYSA-N
XLogP2.21
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-ethyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 56873295) is 2-amino-4-ethyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-ethyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-ethyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-thiazole-5-carboxamide is CCc1nc(N)sc1C(=O)NCc1n[nH]c2c1CCCCC2.
What is the InChIKey of 2-amino-4-ethyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is VCPGTUNXZSIVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-2-10-13(22-15(16)18-10)14(21)17-8-12-9-6-4-3-5-7-11(9)19-20-12/h2-8H2,1H3,(H2,16,18)(H,17,21)(H,19,20).
What are the key properties of 2-amino-4-ethyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-thiazole-5-carboxamide?
2-amino-4-ethyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56873295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).