tert-butyl N-[4-[[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate

C15H23N5O2S — CID 107256095

IUPACtert-butyl N-[4-[[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
SMILESCc1nc(C)c(CNCc2cn[nH]c2NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C15H23N5O2S/c1-9-12(23-10(2)18-9)8-16-6-11-7-17-20-13(11)19-14(21)22-15(3,4)5/h7,16H,6,8H2,1-5H3,(H2,17,19,20,21)
InChIKeyRQCZEWZOQDFSAA-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.12
Rot. Bonds5

About tert-butyl N-[4-[[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate

tert-butyl N-[4-[[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate (PubChem CID 107256095) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is tert-butyl N-[4-[[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
PubChem CID107256095
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC Nametert-butyl N-[4-[[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
SMILESCc1nc(C)c(CNCc2cn[nH]c2NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C15H23N5O2S/c1-9-12(23-10(2)18-9)8-16-6-11-7-17-20-13(11)19-14(21)22-15(3,4)5/h7,16H,6,8H2,1-5H3,(H2,17,19,20,21)
InChIKeyRQCZEWZOQDFSAA-UHFFFAOYSA-N
XLogP3.12
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[4-[[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256000
tert-butyl N-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256004
tert-butyl N-[4-[[(3-bromothiophen-2-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256103
tert-butyl N-[4-[(pyridin-4-ylmethylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107255989
tert-butyl N-[4-[[(2,4,5-trifluorophenyl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 114058013
tert-butyl N-[4-[[(5-methyl-2-pyridinyl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256065
tert-butyl N-[4-[(pentylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107255997
tert-butyl N-[4-[(pyridin-2-ylmethylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107256122
tert-butyl N-[4-[[(3-methyloxetan-3-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256114
tert-butyl N-[4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107255953
tert-butyl N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]propan-2-yl]carbamate
CID 107247781
tert-butyl N-[4-[(oxan-3-ylmethylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107256057

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate (CID 107256095) is tert-butyl N-[4-[[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate is Cc1nc(C)c(CNCc2cn[nH]c2NC(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-[4-[[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate?
The InChIKey is RQCZEWZOQDFSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-9-12(23-10(2)18-9)8-16-6-11-7-17-20-13(11)19-14(21)22-15(3,4)5/h7,16H,6,8H2,1-5H3,(H2,17,19,20,21).
What are the key properties of tert-butyl N-[4-[[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate?
tert-butyl N-[4-[[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate has a molecular weight of 337.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate is sourced from PubChem (CID 107256095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).