tert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate

C18H24N4O3S — CID 70810298

IUPACtert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(-c2ccncc2)sc1CN1CCOCC1
InChIInChI=1S/C18H24N4O3S/c1-18(2,3)25-17(23)21-15-14(12-22-8-10-24-11-9-22)26-16(20-15)13-4-6-19-7-5-13/h4-7H,8-12H2,1-3H3,(H,21,23)
InChIKeyYDQPQLIFWUJOGA-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.38
Rot. Bonds4

About tert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate

tert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate (PubChem CID 70810298) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is tert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate
PubChem CID70810298
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Nametert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(-c2ccncc2)sc1CN1CCOCC1
InChIInChI=1S/C18H24N4O3S/c1-18(2,3)25-17(23)21-15-14(12-22-8-10-24-11-9-22)26-16(20-15)13-4-6-19-7-5-13/h4-7H,8-12H2,1-3H3,(H,21,23)
InChIKeyYDQPQLIFWUJOGA-UHFFFAOYSA-N
XLogP3.38
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-(5-ethyl-2-pyridin-4-yl-1,3-thiazol-4-yl)carbamate
CID 123401644
tert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate
CID 67025080
tert-butyl N-[3-(2-morpholin-4-ylethyl)phenyl]carbamate
CID 59777100
tert-butyl N-(2-pyridin-4-yl-1,3-thiazol-5-yl)carbamate
CID 130690764
tert-butyl N-(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamate
CID 53241957
4-methyl-N-(2-morpholin-4-ylethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39084285
4-(morpholin-4-ylmethyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide
CID 90174299
5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 123571753
tert-butyl 4-[[4-[(4-carbamoyl-2-pyridin-4-yl-1,3-thiazol-5-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxylate
CID 71061211
tert-butyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate
CID 65142881
tert-butyl N-[3-[(6-benzyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]carbamate
CID 135151010
N-[4-methyl-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate (CID 70810298) is tert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate is CC(C)(C)OC(=O)Nc1nc(-c2ccncc2)sc1CN1CCOCC1.
What is the InChIKey of tert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate?
The InChIKey is YDQPQLIFWUJOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-18(2,3)25-17(23)21-15-14(12-22-8-10-24-11-9-22)26-16(20-15)13-4-6-19-7-5-13/h4-7H,8-12H2,1-3H3,(H,21,23).
What are the key properties of tert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate?
tert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate has a molecular weight of 376.48 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]carbamate is sourced from PubChem (CID 70810298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).