tert-butyl N-[(1R)-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]ethyl]carbamate

C14H20N4O2S — CID 99839688

IUPACtert-butyl N-[(1R)-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2cnn(C)c2)cs1
InChIInChI=1S/C14H20N4O2S/c1-9(16-13(19)20-14(2,3)4)12-17-11(8-21-12)10-6-15-18(5)7-10/h6-9H,1-5H3,(H,16,19)/t9-/m1/s1
InChIKeyRKYMPVDFDREECQ-SECBINFHSA-N
MW308.41 g/mol
LogP3.13
Rot. Bonds3

About tert-butyl N-[(1R)-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]ethyl]carbamate

tert-butyl N-[(1R)-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]ethyl]carbamate (PubChem CID 99839688) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]ethyl]carbamate
PubChem CID99839688
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Nametert-butyl N-[(1R)-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2cnn(C)c2)cs1
InChIInChI=1S/C14H20N4O2S/c1-9(16-13(19)20-14(2,3)4)12-17-11(8-21-12)10-6-15-18(5)7-10/h6-9H,1-5H3,(H,16,19)/t9-/m1/s1
InChIKeyRKYMPVDFDREECQ-SECBINFHSA-N
XLogP3.13
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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methyl (2S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[4-(1-methylpyrazol-4-yl)benzoyl]amino]butanoate
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tert-butyl N-[2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate
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2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
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2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazole-5-carboxylic acid
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N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62542707
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tert-butyl N-[1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]ethyl]carbamate (CID 99839688) is tert-butyl N-[(1R)-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]ethyl]carbamate is C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2cnn(C)c2)cs1.
What is the InChIKey of tert-butyl N-[(1R)-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]ethyl]carbamate?
The InChIKey is RKYMPVDFDREECQ-SECBINFHSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-9(16-13(19)20-14(2,3)4)12-17-11(8-21-12)10-6-15-18(5)7-10/h6-9H,1-5H3,(H,16,19)/t9-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]ethyl]carbamate?
tert-butyl N-[(1R)-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]ethyl]carbamate has a molecular weight of 308.41 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]ethyl]carbamate is sourced from PubChem (CID 99839688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).