N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide

C14H18N4OS2 — CID 118761604

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NCc2nc(C(C)(C)C)cs2)cn1
InChIInChI=1S/C14H18N4OS2/c1-14(2,3)10-8-21-11(18-10)7-15-12(19)9-5-16-13(20-4)17-6-9/h5-6,8H,7H2,1-4H3,(H,15,19)
InChIKeyBNNNPAUHUKFYKL-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.88
Rot. Bonds4

About N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 118761604) has the molecular formula C14H18N4OS2 and a molecular weight of 322.46 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID118761604
Molecular FormulaC14H18N4OS2
Molecular Weight322.46 g/mol
Exact Mass322.09
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NCc2nc(C(C)(C)C)cs2)cn1
InChIInChI=1S/C14H18N4OS2/c1-14(2,3)10-8-21-11(18-10)7-15-12(19)9-5-16-13(20-4)17-6-9/h5-6,8H,7H2,1-4H3,(H,15,19)
InChIKeyBNNNPAUHUKFYKL-UHFFFAOYSA-N
XLogP2.88
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47886341
2-tert-butyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 49028095
2-ethyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 49385475
4-methyl-2-propan-2-yl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 51081167
4-methyl-2-propyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 53501016
2-(ethylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 56744913
[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 56802180
2-(dimethylamino)-4-methyl-N-{2-[2-(2-pyrazinyl)-1,3-thiazol-4-yl]ethyl}-5-pyrimidinecarboxamide
CID 72840148
2-(ethylamino)-N-{[2-(2-pyrimidinyl)-1,3-thiazol-4-yl]methyl}-5-pyrimidinecarboxamide
CID 72892964
2-(ethylamino)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 72925419
2-(ethylamino)-N-(2-{2-[(methylthio)methyl]-1,3-thiazol-4-yl}ethyl)-5-pyrimidinecarboxamide
CID 72931734
2-(ethylamino)-N-{2-[2-(2-pyrimidinyl)-1,3-thiazol-4-yl]ethyl}-5-pyrimidinecarboxamide
CID 72938924

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide (CID 118761604) is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide is CSc1ncc(C(=O)NCc2nc(C(C)(C)C)cs2)cn1.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is BNNNPAUHUKFYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS2/c1-14(2,3)10-8-21-11(18-10)7-15-12(19)9-5-16-13(20-4)17-6-9/h5-6,8H,7H2,1-4H3,(H,15,19).
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide?
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 322.46 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 118761604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).