tert-butyl 4-(5-phenylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxylate

C18H23N3O2S2 — CID 67549444

IUPACtert-butyl 4-(5-phenylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ncc(Sc3ccccc3)s2)CC1
InChIInChI=1S/C18H23N3O2S2/c1-18(2,3)23-17(22)21-11-9-20(10-12-21)16-19-13-15(25-16)24-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3
InChIKeyPWFJRSPBRSCQBC-UHFFFAOYSA-N
MW377.54 g/mol
LogP4.35
Rot. Bonds3

About tert-butyl 4-(5-phenylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxylate

tert-butyl 4-(5-phenylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxylate (PubChem CID 67549444) has the molecular formula C18H23N3O2S2 and a molecular weight of 377.54 g/mol. Its IUPAC name is tert-butyl 4-(5-phenylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-phenylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
PubChem CID67549444
Molecular FormulaC18H23N3O2S2
Molecular Weight377.54 g/mol
Exact Mass377.12
IUPAC Nametert-butyl 4-(5-phenylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ncc(Sc3ccccc3)s2)CC1
InChIInChI=1S/C18H23N3O2S2/c1-18(2,3)23-17(22)21-11-9-20(10-12-21)16-19-13-15(25-16)24-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3
InChIKeyPWFJRSPBRSCQBC-UHFFFAOYSA-N
XLogP4.35
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 89017886
CID 89017886
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CID 176899157
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 131739918
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tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate
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tert-butyl 4-[5-(1-ethoxyethenyl)-4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 123854729
tert-butyl 4-(5-methylsulfanyl-2-phenyl-1,2,4-triazol-3-yl)piperazine-1-carboxylate
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tert-butyl 4-quinazolin-8-ylpiperazine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-phenylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-phenylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxylate (CID 67549444) is tert-butyl 4-(5-phenylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-phenylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-phenylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ncc(Sc3ccccc3)s2)CC1.
What is the InChIKey of tert-butyl 4-(5-phenylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxylate?
The InChIKey is PWFJRSPBRSCQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S2/c1-18(2,3)23-17(22)21-11-9-20(10-12-21)16-19-13-15(25-16)24-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3.
What are the key properties of tert-butyl 4-(5-phenylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxylate?
tert-butyl 4-(5-phenylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxylate has a molecular weight of 377.54 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-phenylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 67549444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).