1-[[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]methyl]cycloheptan-1-ol

C14H23N3OS — CID 103359863

IUPAC1-[[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]methyl]cycloheptan-1-ol
SMILESNc1nsc(NCC2(O)CCCCCC2)c1C1CC1
InChIInChI=1S/C14H23N3OS/c15-12-11(10-5-6-10)13(19-17-12)16-9-14(18)7-3-1-2-4-8-14/h10,16,18H,1-9H2,(H2,15,17)
InChIKeyCFBBLWLZAXCQPE-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.10
Rot. Bonds4

About 1-[[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]methyl]cycloheptan-1-ol

1-[[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]methyl]cycloheptan-1-ol (PubChem CID 103359863) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-[[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]methyl]cycloheptan-1-ol
PubChem CID103359863
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name1-[[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]methyl]cycloheptan-1-ol
SMILESNc1nsc(NCC2(O)CCCCCC2)c1C1CC1
InChIInChI=1S/C14H23N3OS/c15-12-11(10-5-6-10)13(19-17-12)16-9-14(18)7-3-1-2-4-8-14/h10,16,18H,1-9H2,(H2,15,17)
InChIKeyCFBBLWLZAXCQPE-UHFFFAOYSA-N
XLogP3.10
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]methyl]cycloheptan-1-ol (CID 103359863) is 1-[[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]methyl]cycloheptan-1-ol is Nc1nsc(NCC2(O)CCCCCC2)c1C1CC1.
What is the InChIKey of 1-[[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]methyl]cycloheptan-1-ol?
The InChIKey is CFBBLWLZAXCQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c15-12-11(10-5-6-10)13(19-17-12)16-9-14(18)7-3-1-2-4-8-14/h10,16,18H,1-9H2,(H2,15,17).
What are the key properties of 1-[[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]methyl]cycloheptan-1-ol?
1-[[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]methyl]cycloheptan-1-ol has a molecular weight of 281.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 103359863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).